1-methoxy-2-pentylcyclopropan-1-ol

C9H18O2 — CID 13086990

IUPAC1-methoxy-2-pentylcyclopropan-1-ol
SMILESCCCCCC1CC1(O)OC
InChIInChI=1S/C9H18O2/c1-3-4-5-6-8-7-9(8,10)11-2/h8,10H,3-7H2,1-2H3
InChIKeyLIQOLGNFVMGULA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds5

About 1-methoxy-2-pentylcyclopropan-1-ol

1-methoxy-2-pentylcyclopropan-1-ol (PubChem CID 13086990) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-methoxy-2-pentylcyclopropan-1-ol.

Molecular Properties

Compound Name1-methoxy-2-pentylcyclopropan-1-ol
PubChem CID13086990
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-methoxy-2-pentylcyclopropan-1-ol
SMILESCCCCCC1CC1(O)OC
InChIInChI=1S/C9H18O2/c1-3-4-5-6-8-7-9(8,10)11-2/h8,10H,3-7H2,1-2H3
InChIKeyLIQOLGNFVMGULA-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-pentylcyclopropan-1-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 1-methoxy-2-pentylcyclopropan-1-ol?
The IUPAC name of 1-methoxy-2-pentylcyclopropan-1-ol (CID 13086990) is 1-methoxy-2-pentylcyclopropan-1-ol.
What is the SMILES notation for 1-methoxy-2-pentylcyclopropan-1-ol?
The canonical SMILES for 1-methoxy-2-pentylcyclopropan-1-ol is CCCCCC1CC1(O)OC.
What is the InChIKey of 1-methoxy-2-pentylcyclopropan-1-ol?
The InChIKey is LIQOLGNFVMGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-6-8-7-9(8,10)11-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-2-pentylcyclopropan-1-ol?
1-methoxy-2-pentylcyclopropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-pentylcyclopropan-1-ol is sourced from PubChem (CID 13086990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).