(3Z)-4-methylhepta-1,3-diene

C8H14 — CID 12586158

IUPAC(3Z)-4-methylhepta-1,3-diene
SMILESC=C/C=C(/C)CCC
InChIInChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6-
InChIKeyAHWGKLXMXHPYBI-VURMDHGXSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds3

About (3Z)-4-methylhepta-1,3-diene

(3Z)-4-methylhepta-1,3-diene (PubChem CID 12586158) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3Z)-4-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-methylhepta-1,3-diene
PubChem CID12586158
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3Z)-4-methylhepta-1,3-diene
SMILESC=C/C=C(/C)CCC
InChIInChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6-
InChIKeyAHWGKLXMXHPYBI-VURMDHGXSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methylhepta-1,3-diene?
The IUPAC name of (3Z)-4-methylhepta-1,3-diene (CID 12586158) is (3Z)-4-methylhepta-1,3-diene.
What is the SMILES notation for (3Z)-4-methylhepta-1,3-diene?
The canonical SMILES for (3Z)-4-methylhepta-1,3-diene is C=C/C=C(/C)CCC.
What is the InChIKey of (3Z)-4-methylhepta-1,3-diene?
The InChIKey is AHWGKLXMXHPYBI-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6-.
What are the key properties of (3Z)-4-methylhepta-1,3-diene?
(3Z)-4-methylhepta-1,3-diene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylhepta-1,3-diene is sourced from PubChem (CID 12586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).