formic acid;3-methylcyclobutan-1-ol

C6H12O3 — CID 175459565

IUPACformic acid;3-methylcyclobutan-1-ol
SMILESCC1CC(O)C1.O=CO
InChIInChI=1S/C5H10O.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3)
InChIKeyIHCCEMNMBLTQLV-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds

About formic acid;3-methylcyclobutan-1-ol

formic acid;3-methylcyclobutan-1-ol (PubChem CID 175459565) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is formic acid;3-methylcyclobutan-1-ol.

Molecular Properties

Compound Nameformic acid;3-methylcyclobutan-1-ol
PubChem CID175459565
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameformic acid;3-methylcyclobutan-1-ol
SMILESCC1CC(O)C1.O=CO
InChIInChI=1S/C5H10O.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3)
InChIKeyIHCCEMNMBLTQLV-UHFFFAOYSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
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

cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
formic acid;3-methylcyclobutan-1-amine
CID 175472209
3,4-diethylcyclopentan-1-ol;formic acid
CID 174659465
1-(difluoromethyl)-3-methylcyclobutane;formic acid
CID 174816382
(1S,3R,5R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 121406246
(3R)-3-methyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 145106733
cyclohexane-1,3,5-triol;5-methoxycyclohexane-1,3-diol;bis((5R)-3-methoxy-5-methylcyclohexan-1-ol);trans-(3R,5R)-1-methoxy-3,5-dimethylcyclohexane
CID 158489403
1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone
CID 130150427
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
3-methylcyclopentan-1-ol;yttrium
CID 178142170
cyclobutane-1,3-diol
CID 175518786
3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
CID 163396379

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methylcyclobutan-1-ol?
The IUPAC name of formic acid;3-methylcyclobutan-1-ol (CID 175459565) is formic acid;3-methylcyclobutan-1-ol.
What is the SMILES notation for formic acid;3-methylcyclobutan-1-ol?
The canonical SMILES for formic acid;3-methylcyclobutan-1-ol is CC1CC(O)C1.O=CO.
What is the InChIKey of formic acid;3-methylcyclobutan-1-ol?
The InChIKey is IHCCEMNMBLTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-methylcyclobutan-1-ol?
formic acid;3-methylcyclobutan-1-ol has a molecular weight of 132.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methylcyclobutan-1-ol is sourced from PubChem (CID 175459565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).