(Z)-3-methoxy-2,5-dimethylhex-3-ene

C9H18O — CID 5463426

IUPAC(Z)-3-methoxy-2,5-dimethylhex-3-ene
SMILESCO/C(=C\C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6-8H,1-5H3/b9-6-
InChIKeyPYPPCCYSBRCXAF-TWGQIWQCSA-N
MW142.24 g/mol
LogP2.83
Rot. Bonds3

About (Z)-3-methoxy-2,5-dimethylhex-3-ene

(Z)-3-methoxy-2,5-dimethylhex-3-ene (PubChem CID 5463426) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (Z)-3-methoxy-2,5-dimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-3-methoxy-2,5-dimethylhex-3-ene
PubChem CID5463426
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(Z)-3-methoxy-2,5-dimethylhex-3-ene
SMILESCO/C(=C\C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6-8H,1-5H3/b9-6-
InChIKeyPYPPCCYSBRCXAF-TWGQIWQCSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-3-methoxy-2,5-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 (Z)-3-methoxy-2,5-dimethylhex-3-ene?
The IUPAC name of (Z)-3-methoxy-2,5-dimethylhex-3-ene (CID 5463426) is (Z)-3-methoxy-2,5-dimethylhex-3-ene.
What is the SMILES notation for (Z)-3-methoxy-2,5-dimethylhex-3-ene?
The canonical SMILES for (Z)-3-methoxy-2,5-dimethylhex-3-ene is CO/C(=C\C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methoxy-2,5-dimethylhex-3-ene?
The InChIKey is PYPPCCYSBRCXAF-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6-8H,1-5H3/b9-6-.
What are the key properties of (Z)-3-methoxy-2,5-dimethylhex-3-ene?
(Z)-3-methoxy-2,5-dimethylhex-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-2,5-dimethylhex-3-ene is sourced from PubChem (CID 5463426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).