(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene

C13H26O2 — CID 59561715

IUPAC(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCO/C(=C\C(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9-10H,1-8H3/b11-9-
InChIKeyWIYQLBFIBSUMRE-LUAWRHEFSA-N
MW214.35 g/mol
LogP3.62
Rot. Bonds3

About (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene

(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene (PubChem CID 59561715) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
PubChem CID59561715
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCO/C(=C\C(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9-10H,1-8H3/b11-9-
InChIKeyWIYQLBFIBSUMRE-LUAWRHEFSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3,5-dimethoxy-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)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene (CID 59561715) is (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene is CO/C(=C\C(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is WIYQLBFIBSUMRE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9-10H,1-8H3/b11-9-.
What are the key properties of (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene?
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene has a molecular weight of 214.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 59561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).