Cas no 101513-13-7 (Methyl 6-propan-2-ylnaphthalene-2-carboxylate)
101513-13-7 structure
Product Name:Methyl 6-propan-2-ylnaphthalene-2-carboxylate
CAS No:101513-13-7
MF:C15H16O2
MW:228.286344528198
CID:1132082
PubChem ID:13628559
Update Time:2025-04-20
Methyl 6-propan-2-ylnaphthalene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 6-propan-2-ylnaphthalene-2-carboxylate
- 2-Naphthalenecarboxylic acid, 6-(1-methylethyl)-, methyl ester
- AGN-PC-00NGMA
- ACMC-20m4k3
- 6-isopropyl-[2]naphthoic acid methyl ester
- 6-Isopropyl-[2]naphthoesaeure-methylester
- methyl 6-isopropyl-2-naphthoate
- methyl 2-isopropylnaphthalene-6-carboxylate
- SureCN10749138
- CTK0G8149
- 2-Naphthalenecarboxylic acid, 6-(1-methylethyl)-, methyl ester; AGN-PC-00NGMA; ACMC-20m4k3; 6-isopropyl-[2]naphthoic acid methyl ester; 6-Isopropyl-[2]naphthoesaeure-methylester; methyl 6-isopropyl-2-naphthoate; methyl 2-isopropylnaphthalene-6-carboxylate; SureCN10749138; CTK0G8149;
- Methyl 6-(propan-2-yl)naphthalene-2-carboxylate
- 101513-13-7
- SCHEMBL10749138
- DTXSID00545406
-
- Inchi： 1S/C15H16O2/c1-10(2)11-4-5-13-9-14(15(16)17-3)7-6-12(13)8-11/h4-10H,1-3H3
- InChI Key： LJVPZIPTHLHTQV-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC2=C(C=1)C=CC(=C2)C(C)C)=O
Computed Properties
- Exact Mass: 228.11503g/mol
- Monoisotopic Mass: 228.11503g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 228.29g/mol
- XLogP3: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.74980
Methyl 6-propan-2-ylnaphthalene-2-carboxylate Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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