4-(2-methylcyclopropyl)butan-1-ol

C8H16O — CID 154747277

IUPAC4-(2-methylcyclopropyl)butan-1-ol
SMILESCC1CC1CCCCO
InChIInChI=1S/C8H16O/c1-7-6-8(7)4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyJCGGIQSCSHGJIX-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds4

About 4-(2-methylcyclopropyl)butan-1-ol

4-(2-methylcyclopropyl)butan-1-ol (PubChem CID 154747277) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-(2-methylcyclopropyl)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylcyclopropyl)butan-1-ol
PubChem CID154747277
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name4-(2-methylcyclopropyl)butan-1-ol
SMILESCC1CC1CCCCO
InChIInChI=1S/C8H16O/c1-7-6-8(7)4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeyJCGGIQSCSHGJIX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclopropyl)butan-1-ol?
The IUPAC name of 4-(2-methylcyclopropyl)butan-1-ol (CID 154747277) is 4-(2-methylcyclopropyl)butan-1-ol.
What is the SMILES notation for 4-(2-methylcyclopropyl)butan-1-ol?
The canonical SMILES for 4-(2-methylcyclopropyl)butan-1-ol is CC1CC1CCCCO.
What is the InChIKey of 4-(2-methylcyclopropyl)butan-1-ol?
The InChIKey is JCGGIQSCSHGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-6-8(7)4-2-3-5-9/h7-9H,2-6H2,1H3.
What are the key properties of 4-(2-methylcyclopropyl)butan-1-ol?
4-(2-methylcyclopropyl)butan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclopropyl)butan-1-ol is sourced from PubChem (CID 154747277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).