(5Z)-4-methylidenehepta-1,5-diene

C8H12 — CID 143920725

IUPAC(5Z)-4-methylidenehepta-1,5-diene
SMILESC=CCC(=C)/C=C\C
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3/b7-5-
InChIKeyAGESRJGCXYAYON-ALCCZGGFSA-N
MW108.18 g/mol
LogP2.69
Rot. Bonds3

About (5Z)-4-methylidenehepta-1,5-diene

(5Z)-4-methylidenehepta-1,5-diene (PubChem CID 143920725) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (5Z)-4-methylidenehepta-1,5-diene.

Molecular Properties

Compound Name(5Z)-4-methylidenehepta-1,5-diene
PubChem CID143920725
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(5Z)-4-methylidenehepta-1,5-diene
SMILESC=CCC(=C)/C=C\C
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3/b7-5-
InChIKeyAGESRJGCXYAYON-ALCCZGGFSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1-Methyl-1,3-cyclopentadiene
CID 66775
2,3-Dimethyl-1,4-hexadiene
CID 5368910

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methylidenehepta-1,5-diene?
The IUPAC name of (5Z)-4-methylidenehepta-1,5-diene (CID 143920725) is (5Z)-4-methylidenehepta-1,5-diene.
What is the SMILES notation for (5Z)-4-methylidenehepta-1,5-diene?
The canonical SMILES for (5Z)-4-methylidenehepta-1,5-diene is C=CCC(=C)/C=C\C.
What is the InChIKey of (5Z)-4-methylidenehepta-1,5-diene?
The InChIKey is AGESRJGCXYAYON-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12/c1-4-6-8(3)7-5-2/h4-5,7H,1,3,6H2,2H3/b7-5-.
What are the key properties of (5Z)-4-methylidenehepta-1,5-diene?
(5Z)-4-methylidenehepta-1,5-diene has a molecular weight of 108.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methylidenehepta-1,5-diene is sourced from PubChem (CID 143920725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).