4-(1-methylcyclopropyl)butan-1-ol

C8H16O — CID 170156502

IUPAC4-(1-methylcyclopropyl)butan-1-ol
SMILESCC1(CCCCO)CC1
InChIInChI=1S/C8H16O/c1-8(5-6-8)4-2-3-7-9/h9H,2-7H2,1H3
InChIKeyCOJAIAOQHIISEH-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds4

About 4-(1-methylcyclopropyl)butan-1-ol

4-(1-methylcyclopropyl)butan-1-ol (PubChem CID 170156502) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)butan-1-ol.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)butan-1-ol
PubChem CID170156502
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name4-(1-methylcyclopropyl)butan-1-ol
SMILESCC1(CCCCO)CC1
InChIInChI=1S/C8H16O/c1-8(5-6-8)4-2-3-7-9/h9H,2-7H2,1H3
InChIKeyCOJAIAOQHIISEH-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-pentylcyclopropane
CID 524644
5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
CID 67793892
1-(6,6-dimethylheptyl)-1-methylcyclopropane
CID 123317672
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-(6-hydroxyhexyl)cyclopentan-1-ol
CID 70524095
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
4-[4-(1-methylcyclopropyl)butyl]-6-[6-(1-methylcyclopropyl)hexyl]benzene-1,2,3-triol
CID 170103855
1-methyl-1-undecylcyclohexane
CID 86137257
6-(2-ethyloxetan-2-yl)hexan-1-ol
CID 68634810
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
6-(1-methylcyclohexyl)hexanamide
CID 154219195
N-methyl-5-(1-methylcyclopropyl)pentan-2-amine
CID 121451182

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropyl)butan-1-ol?
The IUPAC name of 4-(1-methylcyclopropyl)butan-1-ol (CID 170156502) is 4-(1-methylcyclopropyl)butan-1-ol.
What is the SMILES notation for 4-(1-methylcyclopropyl)butan-1-ol?
The canonical SMILES for 4-(1-methylcyclopropyl)butan-1-ol is CC1(CCCCO)CC1.
What is the InChIKey of 4-(1-methylcyclopropyl)butan-1-ol?
The InChIKey is COJAIAOQHIISEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(5-6-8)4-2-3-7-9/h9H,2-7H2,1H3.
What are the key properties of 4-(1-methylcyclopropyl)butan-1-ol?
4-(1-methylcyclopropyl)butan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)butan-1-ol is sourced from PubChem (CID 170156502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).