1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol

C8H16O2 — CID 102551268

IUPAC1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol
SMILESCCCC(O)C1(CO)CC1
InChIInChI=1S/C8H16O2/c1-2-3-7(10)8(6-9)4-5-8/h7,9-10H,2-6H2,1H3
InChIKeyZBJREHCZDXIYOA-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds4

About 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol

1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol (PubChem CID 102551268) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol
PubChem CID102551268
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol
SMILESCCCC(O)C1(CO)CC1
InChIInChI=1S/C8H16O2/c1-2-3-7(10)8(6-9)4-5-8/h7,9-10H,2-6H2,1H3
InChIKeyZBJREHCZDXIYOA-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol (CID 102551268) is 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol is CCCC(O)C1(CO)CC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol?
The InChIKey is ZBJREHCZDXIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-7(10)8(6-9)4-5-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol?
1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopropyl]butan-1-ol is sourced from PubChem (CID 102551268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).