Cas no 2868-07-7 (1-Pentyne, 3-methyl-, (S)-)
1-Pentyne, 3-methyl-, (S)- structure
Product Name:1-Pentyne, 3-methyl-, (S)-
CAS No:2868-07-7
MF:C6H10
MW:82.1436018943787
CID:1435838
PubChem ID:11159288
Update Time:2025-04-20
1-Pentyne, 3-methyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentyne, 3-methyl-, (S)-
- (3S)-3-methylpent-1-yne
- (S)-3-Methylpent-1-yne
- DTXSID10457142
- CTK0J1899
- 2868-07-7
- W11641
-
- Inchi： 1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m1/s1
- InChI Key： PLHJCCHSCFNKCC-ZCFIWIBFSA-N
- SMILES： [C@H](C#C)(C)CC
Computed Properties
- Exact Mass: 82.0783
- Monoisotopic Mass: 82.078250319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 63.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1-Pentyne, 3-methyl-, (S)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
2868-07-7 (1-Pentyne, 3-methyl-, (S)-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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