(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene

C12H24O — CID 156624671

IUPAC(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCO/C(=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)8-10(13-7)9-12(4,5)6/h8H,9H2,1-7H3/b10-8-
InChIKeyFFQQLTJMQPRIPI-NTMALXAHSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds2

About (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene

(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene (PubChem CID 156624671) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene
PubChem CID156624671
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCO/C(=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)8-10(13-7)9-12(4,5)6/h8H,9H2,1-7H3/b10-8-
InChIKeyFFQQLTJMQPRIPI-NTMALXAHSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-methoxy-2,2,6,6-tetramethylhept-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)-4-methoxy-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene (CID 156624671) is (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene is CO/C(=C\C(C)(C)C)CC(C)(C)C.
What is the InChIKey of (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is FFQQLTJMQPRIPI-NTMALXAHSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)8-10(13-7)9-12(4,5)6/h8H,9H2,1-7H3/b10-8-.
What are the key properties of (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene?
(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene has a molecular weight of 184.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 156624671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).