(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol

C12H20O — CID 10797469

IUPAC(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol
SMILESCC#C[C@@H](C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h10-13H,4-6,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyIUYATHSAMYPEIA-ZYHUDNBSSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds2

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

(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol (PubChem CID 10797469) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol
PubChem CID10797469
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol
SMILESCC#C[C@@H](C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h10-13H,4-6,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyIUYATHSAMYPEIA-ZYHUDNBSSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexylethanol
CID 137829
4-Ethyl-3-hydroxy-1-octyne
CID 93012
2-Propylcyclohexan-1-ol
CID 138614
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
4-Ethylcyclohexanol
CID 78293
2,6-Dimethylcyclohexanol
CID 21428
2-Cyclohexylpropanol
CID 79509
1-Cyclohexyl-1-propanol
CID 86535
alpha-Methylcyclohexanepropanol
CID 112065
6,10-Dimethyl-2-undecanol
CID 3016008

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol?
The IUPAC name of (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol (CID 10797469) is (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol?
The canonical SMILES for (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol is CC#C[C@@H](C)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol?
The InChIKey is IUYATHSAMYPEIA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H20O/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h10-13H,4-6,8-9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol?
(1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyl-2-methylpent-3-yn-1-ol is sourced from PubChem (CID 10797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).