2-(3-methylhex-5-en-3-yloxymethyl)oxirane

C10H18O2 — CID 21263243

IUPAC2-(3-methylhex-5-en-3-yloxymethyl)oxirane
SMILESC=CCC(C)(CC)OCC1CO1
InChIInChI=1S/C10H18O2/c1-4-6-10(3,5-2)12-8-9-7-11-9/h4,9H,1,5-8H2,2-3H3
InChIKeyQMYXZYLGDUGTCT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds6

About 2-(3-methylhex-5-en-3-yloxymethyl)oxirane

2-(3-methylhex-5-en-3-yloxymethyl)oxirane (PubChem CID 21263243) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-methylhex-5-en-3-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-methylhex-5-en-3-yloxymethyl)oxirane
PubChem CID21263243
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-methylhex-5-en-3-yloxymethyl)oxirane
SMILESC=CCC(C)(CC)OCC1CO1
InChIInChI=1S/C10H18O2/c1-4-6-10(3,5-2)12-8-9-7-11-9/h4,9H,1,5-8H2,2-3H3
InChIKeyQMYXZYLGDUGTCT-UHFFFAOYSA-N
XLogP2.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylhex-5-en-3-yloxymethyl)oxirane 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-(3-methylhex-5-en-3-yloxymethyl)oxirane?
The IUPAC name of 2-(3-methylhex-5-en-3-yloxymethyl)oxirane (CID 21263243) is 2-(3-methylhex-5-en-3-yloxymethyl)oxirane.
What is the SMILES notation for 2-(3-methylhex-5-en-3-yloxymethyl)oxirane?
The canonical SMILES for 2-(3-methylhex-5-en-3-yloxymethyl)oxirane is C=CCC(C)(CC)OCC1CO1.
What is the InChIKey of 2-(3-methylhex-5-en-3-yloxymethyl)oxirane?
The InChIKey is QMYXZYLGDUGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-10(3,5-2)12-8-9-7-11-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-(3-methylhex-5-en-3-yloxymethyl)oxirane?
2-(3-methylhex-5-en-3-yloxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhex-5-en-3-yloxymethyl)oxirane is sourced from PubChem (CID 21263243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).