Cas no 16695-73-1 ((1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone)
16695-73-1 structure
Product Name:(1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
CAS No:16695-73-1
MF:C12H18O
MW:178.270723819733
CID:146900
PubChem ID:5373877
Update Time:2024-03-01
(1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (1Z)-
- (1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
- cis-2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-
- B4P76TZK92
- Isoxylitone B
- BPMFQXXZWSBLRP-IZZDOVSWSA-N
- 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (Z)-
- 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
- 1-(cis-2-Oxopropylidene)-3,5,5-trimethyl-2-cyclohexene
- (Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone
- 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohe
-
- Inchi： 1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3/b11-6+
- InChI Key： BPMFQXXZWSBLRP-IZZDOVSWSA-N
- SMILES： O=C(C)/C=C1\C=C(C)CC(C)(C)C\1
Computed Properties
- Exact Mass: 178.135765193g/mol
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 2.2
(1Z)-1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)-2-propanone Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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