(3Z)-3,5,6-trimethylocta-1,3-diene

C11H20 — CID 165141677

IUPAC(3Z)-3,5,6-trimethylocta-1,3-diene
SMILESC=C/C(C)=C\C(C)C(C)CC
InChIInChI=1S/C11H20/c1-6-9(3)8-11(5)10(4)7-2/h6,8,10-11H,1,7H2,2-5H3/b9-8-
InChIKeyYOKUCSKVCDQSKQ-HJWRWDBZSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds4

About (3Z)-3,5,6-trimethylocta-1,3-diene

(3Z)-3,5,6-trimethylocta-1,3-diene (PubChem CID 165141677) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (3Z)-3,5,6-trimethylocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3,5,6-trimethylocta-1,3-diene
PubChem CID165141677
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(3Z)-3,5,6-trimethylocta-1,3-diene
SMILESC=C/C(C)=C\C(C)C(C)CC
InChIInChI=1S/C11H20/c1-6-9(3)8-11(5)10(4)7-2/h6,8,10-11H,1,7H2,2-5H3/b9-8-
InChIKeyYOKUCSKVCDQSKQ-HJWRWDBZSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-3,5,6-trimethylocta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-N-butan-2-yl-N,3-dimethyl-6-methylidenenona-1,3-dien-5-amine
CID 134292168
(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
CID 143243230
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
4,5-dimethyl-2-(3-methylbutyl)hept-2-enal
CID 86146166
2,5,6-trimethylocta-2,3-diene
CID 123715918
(3Z)-2,4-dimethylhexa-3,5-dienoic acid
CID 131488033
(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
CID 142311406
(3E)-4-methylhexa-3,5-diene-2-sulfonic acid
CID 139630124
(3E)-5-hydroperoxy-3,7-dimethylocta-1,3,6-triene
CID 167216240
4-ethenyl-3,5-dimethylheptane
CID 90755259
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,5,6-trimethylocta-1,3-diene?
The IUPAC name of (3Z)-3,5,6-trimethylocta-1,3-diene (CID 165141677) is (3Z)-3,5,6-trimethylocta-1,3-diene.
What is the SMILES notation for (3Z)-3,5,6-trimethylocta-1,3-diene?
The canonical SMILES for (3Z)-3,5,6-trimethylocta-1,3-diene is C=C/C(C)=C\C(C)C(C)CC.
What is the InChIKey of (3Z)-3,5,6-trimethylocta-1,3-diene?
The InChIKey is YOKUCSKVCDQSKQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20/c1-6-9(3)8-11(5)10(4)7-2/h6,8,10-11H,1,7H2,2-5H3/b9-8-.
What are the key properties of (3Z)-3,5,6-trimethylocta-1,3-diene?
(3Z)-3,5,6-trimethylocta-1,3-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,5,6-trimethylocta-1,3-diene is sourced from PubChem (CID 165141677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).