2-methyl-6-(oxiran-2-yl)heptan-2-ol

C10H20O2 — CID 21492164

IUPAC2-methyl-6-(oxiran-2-yl)heptan-2-ol
SMILESCC(CCCC(C)(C)O)C1CO1
InChIInChI=1S/C10H20O2/c1-8(9-7-12-9)5-4-6-10(2,3)11/h8-9,11H,4-7H2,1-3H3
InChIKeySRLPJCXTCJZUAU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-6-(oxiran-2-yl)heptan-2-ol

2-methyl-6-(oxiran-2-yl)heptan-2-ol (PubChem CID 21492164) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-6-(oxiran-2-yl)heptan-2-ol.

Molecular Properties

Compound Name2-methyl-6-(oxiran-2-yl)heptan-2-ol
PubChem CID21492164
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-6-(oxiran-2-yl)heptan-2-ol
SMILESCC(CCCC(C)(C)O)C1CO1
InChIInChI=1S/C10H20O2/c1-8(9-7-12-9)5-4-6-10(2,3)11/h8-9,11H,4-7H2,1-3H3
InChIKeySRLPJCXTCJZUAU-UHFFFAOYSA-N
XLogP1.96
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-6-(oxiran-2-yl)heptan-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-methyl-6-(oxiran-2-yl)heptan-2-ol?
The IUPAC name of 2-methyl-6-(oxiran-2-yl)heptan-2-ol (CID 21492164) is 2-methyl-6-(oxiran-2-yl)heptan-2-ol.
What is the SMILES notation for 2-methyl-6-(oxiran-2-yl)heptan-2-ol?
The canonical SMILES for 2-methyl-6-(oxiran-2-yl)heptan-2-ol is CC(CCCC(C)(C)O)C1CO1.
What is the InChIKey of 2-methyl-6-(oxiran-2-yl)heptan-2-ol?
The InChIKey is SRLPJCXTCJZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(9-7-12-9)5-4-6-10(2,3)11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-6-(oxiran-2-yl)heptan-2-ol?
2-methyl-6-(oxiran-2-yl)heptan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxiran-2-yl)heptan-2-ol is sourced from PubChem (CID 21492164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).