2-(cyclopropylmethoxy)butan-2-ol

C8H16O2 — CID 54194500

IUPAC2-(cyclopropylmethoxy)butan-2-ol
SMILESCCC(C)(O)OCC1CC1
InChIInChI=1S/C8H16O2/c1-3-8(2,9)10-6-7-4-5-7/h7,9H,3-6H2,1-2H3
InChIKeyGZCJCHGFDQCNHR-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.53
Rot. Bonds4

About 2-(cyclopropylmethoxy)butan-2-ol

2-(cyclopropylmethoxy)butan-2-ol (PubChem CID 54194500) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)butan-2-ol.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)butan-2-ol
PubChem CID54194500
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(cyclopropylmethoxy)butan-2-ol
SMILESCCC(C)(O)OCC1CC1
InChIInChI=1S/C8H16O2/c1-3-8(2,9)10-6-7-4-5-7/h7,9H,3-6H2,1-2H3
InChIKeyGZCJCHGFDQCNHR-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(cyclopropylmethoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)butan-2-ol?
The IUPAC name of 2-(cyclopropylmethoxy)butan-2-ol (CID 54194500) is 2-(cyclopropylmethoxy)butan-2-ol.
What is the SMILES notation for 2-(cyclopropylmethoxy)butan-2-ol?
The canonical SMILES for 2-(cyclopropylmethoxy)butan-2-ol is CCC(C)(O)OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)butan-2-ol?
The InChIKey is GZCJCHGFDQCNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(2,9)10-6-7-4-5-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)butan-2-ol?
2-(cyclopropylmethoxy)butan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)butan-2-ol is sourced from PubChem (CID 54194500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).