(3Z)-4-methylocta-1,3,5-triene

C9H14 — CID 142968936

IUPAC(3Z)-4-methylocta-1,3,5-triene
SMILESC=C/C=C(/C)C=CCC
InChIInChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h5-8H,2,4H2,1,3H3/b8-6?,9-7-
InChIKeyBJCRPOCWQGCDGX-FRYQIGRPSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds3

About (3Z)-4-methylocta-1,3,5-triene

(3Z)-4-methylocta-1,3,5-triene (PubChem CID 142968936) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3Z)-4-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-4-methylocta-1,3,5-triene
PubChem CID142968936
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3Z)-4-methylocta-1,3,5-triene
SMILESC=C/C=C(/C)C=CCC
InChIInChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h5-8H,2,4H2,1,3H3/b8-6?,9-7-
InChIKeyBJCRPOCWQGCDGX-FRYQIGRPSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
CID 143959035
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(3Z,6Z)-4-ethenyl-5-methylidenenona-1,3,6-triene
CID 142571328
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
CID 143938977
(3E,5Z)-octa-1,3,5-triene-4-sulfonic acid
CID 89312576
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methylocta-1,3,5-triene?
The IUPAC name of (3Z)-4-methylocta-1,3,5-triene (CID 142968936) is (3Z)-4-methylocta-1,3,5-triene.
What is the SMILES notation for (3Z)-4-methylocta-1,3,5-triene?
The canonical SMILES for (3Z)-4-methylocta-1,3,5-triene is C=C/C=C(/C)C=CCC.
What is the InChIKey of (3Z)-4-methylocta-1,3,5-triene?
The InChIKey is BJCRPOCWQGCDGX-FRYQIGRPSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h5-8H,2,4H2,1,3H3/b8-6?,9-7-.
What are the key properties of (3Z)-4-methylocta-1,3,5-triene?
(3Z)-4-methylocta-1,3,5-triene has a molecular weight of 122.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylocta-1,3,5-triene is sourced from PubChem (CID 142968936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).