2-methoxy-3,4-dimethylhex-3-ene

C9H18O — CID 123765053

IUPAC2-methoxy-3,4-dimethylhex-3-ene
SMILESCCC(C)=C(C)C(C)OC
InChIInChI=1S/C9H18O/c1-6-7(2)8(3)9(4)10-5/h9H,6H2,1-5H3
InChIKeyPUJGWRFWRPNATN-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds3

About 2-methoxy-3,4-dimethylhex-3-ene

2-methoxy-3,4-dimethylhex-3-ene (PubChem CID 123765053) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methoxy-3,4-dimethylhex-3-ene.

Molecular Properties

Compound Name2-methoxy-3,4-dimethylhex-3-ene
PubChem CID123765053
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methoxy-3,4-dimethylhex-3-ene
SMILESCCC(C)=C(C)C(C)OC
InChIInChI=1S/C9H18O/c1-6-7(2)8(3)9(4)10-5/h9H,6H2,1-5H3
InChIKeyPUJGWRFWRPNATN-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methoxy-3,4-dimethylhex-3-ene 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-methoxy-3,4-dimethylhex-3-ene?
The IUPAC name of 2-methoxy-3,4-dimethylhex-3-ene (CID 123765053) is 2-methoxy-3,4-dimethylhex-3-ene.
What is the SMILES notation for 2-methoxy-3,4-dimethylhex-3-ene?
The canonical SMILES for 2-methoxy-3,4-dimethylhex-3-ene is CCC(C)=C(C)C(C)OC.
What is the InChIKey of 2-methoxy-3,4-dimethylhex-3-ene?
The InChIKey is PUJGWRFWRPNATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-7(2)8(3)9(4)10-5/h9H,6H2,1-5H3.
What are the key properties of 2-methoxy-3,4-dimethylhex-3-ene?
2-methoxy-3,4-dimethylhex-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dimethylhex-3-ene is sourced from PubChem (CID 123765053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).