acetylene;1-methylcyclohexan-1-ol

C9H16O — CID 142432034

IUPACacetylene;1-methylcyclohexan-1-ol
SMILESC#C.CC1(O)CCCCC1
InChIInChI=1S/C7H14O.C2H2/c1-7(8)5-3-2-4-6-7;1-2/h8H,2-6H2,1H3;1-2H
InChIKeyPRVUPLATXFOKQA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds

About acetylene;1-methylcyclohexan-1-ol

acetylene;1-methylcyclohexan-1-ol (PubChem CID 142432034) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is acetylene;1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nameacetylene;1-methylcyclohexan-1-ol
PubChem CID142432034
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nameacetylene;1-methylcyclohexan-1-ol
SMILESC#C.CC1(O)CCCCC1
InChIInChI=1S/C7H14O.C2H2/c1-7(8)5-3-2-4-6-7;1-2/h8H,2-6H2,1H3;1-2H
InChIKeyPRVUPLATXFOKQA-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
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

cerium;1-methylcyclohexan-1-ol
CID 146687678
lithium 1-methylcyclopentan-1-ol
CID 18764027
formic acid;1-methylcyclohexan-1-ol
CID 163667859
dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
CID 19770518
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
1-cyclohexylethanol;1-methylcyclooctan-1-ol
CID 18968457
5-methyl-1-phosphanylazocan-5-ol
CID 137426005
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
cyclohexane-1,1-diol;methanol
CID 159463727
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
1-(1-methylcyclobutyl)cyclohexan-1-ol
CID 15391948

Frequently Asked Questions

What is the IUPAC name of acetylene;1-methylcyclohexan-1-ol?
The IUPAC name of acetylene;1-methylcyclohexan-1-ol (CID 142432034) is acetylene;1-methylcyclohexan-1-ol.
What is the SMILES notation for acetylene;1-methylcyclohexan-1-ol?
The canonical SMILES for acetylene;1-methylcyclohexan-1-ol is C#C.CC1(O)CCCCC1.
What is the InChIKey of acetylene;1-methylcyclohexan-1-ol?
The InChIKey is PRVUPLATXFOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C2H2/c1-7(8)5-3-2-4-6-7;1-2/h8H,2-6H2,1H3;1-2H.
What are the key properties of acetylene;1-methylcyclohexan-1-ol?
acetylene;1-methylcyclohexan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methylcyclohexan-1-ol is sourced from PubChem (CID 142432034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).