formic acid;1-methylcyclohexan-1-ol

C8H16O3 — CID 163667859

IUPACformic acid;1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1.O=CO
InChIInChI=1S/C7H14O.CH2O2/c1-7(8)5-3-2-4-6-7;2-1-3/h8H,2-6H2,1H3;1H,(H,2,3)
InChIKeyIZZYTMSIVMVKRN-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.40
Rot. Bonds

About formic acid;1-methylcyclohexan-1-ol

formic acid;1-methylcyclohexan-1-ol (PubChem CID 163667859) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is formic acid;1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nameformic acid;1-methylcyclohexan-1-ol
PubChem CID163667859
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameformic acid;1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1.O=CO
InChIInChI=1S/C7H14O.CH2O2/c1-7(8)5-3-2-4-6-7;2-1-3/h8H,2-6H2,1H3;1H,(H,2,3)
InChIKeyIZZYTMSIVMVKRN-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium;1-methylcyclohexan-1-ol
CID 146687678
acetylene;1-methylcyclohexan-1-ol
CID 142432034
lithium 1-methylcyclopentan-1-ol
CID 18764027
dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
CID 19770518
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
CID 70582524
1-methylcyclopentan-1-ol;(1-methylcyclopentyl)azanium;N-(1-methylcyclopentyl)formamide;chloride
CID 159743078
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
4-methyl-1,1-dioxothian-4-ol
CID 58387715
1-(1-methylcyclobutyl)cyclohexan-1-ol
CID 15391948

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methylcyclohexan-1-ol?
The IUPAC name of formic acid;1-methylcyclohexan-1-ol (CID 163667859) is formic acid;1-methylcyclohexan-1-ol.
What is the SMILES notation for formic acid;1-methylcyclohexan-1-ol?
The canonical SMILES for formic acid;1-methylcyclohexan-1-ol is CC1(O)CCCCC1.O=CO.
What is the InChIKey of formic acid;1-methylcyclohexan-1-ol?
The InChIKey is IZZYTMSIVMVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CH2O2/c1-7(8)5-3-2-4-6-7;2-1-3/h8H,2-6H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-methylcyclohexan-1-ol?
formic acid;1-methylcyclohexan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methylcyclohexan-1-ol is sourced from PubChem (CID 163667859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).