(1S)-1-ethynyl-3-methylcyclohexan-1-ol

C9H14O — CID 134930490

IUPAC(1S)-1-ethynyl-3-methylcyclohexan-1-ol
SMILESC#C[C@]1(O)CCCC(C)C1
InChIInChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h1,8,10H,4-7H2,2H3/t8?,9-/m0/s1
InChIKeyYXHKSLYHWCBOIN-GKAPJAKFSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds

About (1S)-1-ethynyl-3-methylcyclohexan-1-ol

(1S)-1-ethynyl-3-methylcyclohexan-1-ol (PubChem CID 134930490) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S)-1-ethynyl-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-1-ethynyl-3-methylcyclohexan-1-ol
PubChem CID134930490
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S)-1-ethynyl-3-methylcyclohexan-1-ol
SMILESC#C[C@]1(O)CCCC(C)C1
InChIInChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h1,8,10H,4-7H2,2H3/t8?,9-/m0/s1
InChIKeyYXHKSLYHWCBOIN-GKAPJAKFSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
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

cis-(1R,3R)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512654
trans-(1R,3S)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512652
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
5-methylcyclooctane-1,1-diol
CID 22461370
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181
4-ethynyl-2-methylpiperidin-4-ol
CID 45079343
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
4-ethynyl-2-methyloxan-4-ol
CID 45079336
1-ethynyl-4,4-dimethylcyclohexan-1-ol
CID 20569400
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
cobalt;1,1,3-trimethylcyclohexane
CID 70372264

Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethynyl-3-methylcyclohexan-1-ol?
The IUPAC name of (1S)-1-ethynyl-3-methylcyclohexan-1-ol (CID 134930490) is (1S)-1-ethynyl-3-methylcyclohexan-1-ol.
What is the SMILES notation for (1S)-1-ethynyl-3-methylcyclohexan-1-ol?
The canonical SMILES for (1S)-1-ethynyl-3-methylcyclohexan-1-ol is C#C[C@]1(O)CCCC(C)C1.
What is the InChIKey of (1S)-1-ethynyl-3-methylcyclohexan-1-ol?
The InChIKey is YXHKSLYHWCBOIN-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H14O/c1-3-9(10)6-4-5-8(2)7-9/h1,8,10H,4-7H2,2H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-ethynyl-3-methylcyclohexan-1-ol?
(1S)-1-ethynyl-3-methylcyclohexan-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethynyl-3-methylcyclohexan-1-ol is sourced from PubChem (CID 134930490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).