(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol

C17H30O — CID 10705859

IUPAC(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol
SMILESCCCCCCC#C[C@H](C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H30O/c1-3-4-5-6-7-9-12-15(2)17(18)16-13-10-8-11-14-16/h15-18H,3-8,10-11,13-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyWVXPNAVOFWWJOO-DOTOQJQBSA-N
MW250.43 g/mol
LogP4.54
Rot. Bonds6

About (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol

(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol (PubChem CID 10705859) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol
PubChem CID10705859
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol
SMILESCCCCCCC#C[C@H](C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H30O/c1-3-4-5-6-7-9-12-15(2)17(18)16-13-10-8-11-14-16/h15-18H,3-8,10-11,13-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyWVXPNAVOFWWJOO-DOTOQJQBSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexylethanol
CID 137829
2-Propylcyclohexan-1-ol
CID 138614
7-Ethyl-2-methyl-4-undecanol
CID 97948
3,9-Diethyl-6-tridecanol
CID 225882
1-Cyclohexyl-1-propanol
CID 86535
alpha-Methylcyclohexanepropanol
CID 112065
3-Methylcyclopentadecan-1-ol
CID 3017316
Strongylodiol D
CID 11417800
4-Pentylcyclohexanol
CID 41076
2-Ethylcyclohexanol
CID 19576
2-Isopropylcyclohexan-1-ol
CID 95331
2-(2-Ethylbutyl)-1-cyclohexanol
CID 246922

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol?
The IUPAC name of (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol (CID 10705859) is (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol.
What is the SMILES notation for (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol?
The canonical SMILES for (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol is CCCCCCC#C[C@H](C)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol?
The InChIKey is WVXPNAVOFWWJOO-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H30O/c1-3-4-5-6-7-9-12-15(2)17(18)16-13-10-8-11-14-16/h15-18H,3-8,10-11,13-14H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol?
(1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-cyclohexyl-2-methyldec-3-yn-1-ol is sourced from PubChem (CID 10705859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).