(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene

C12H18 — CID 145153838

IUPAC(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
SMILESC=CC(=C(C)C)/C(C=C)=C\CC
InChIInChI=1S/C12H18/c1-6-9-11(7-2)12(8-3)10(4)5/h7-9H,2-3,6H2,1,4-5H3/b11-9-
InChIKeyQNHWTDOTKGFYOA-LUAWRHEFSA-N
MW162.28 g/mol
LogP4.03
Rot. Bonds4

About (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene

(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene (PubChem CID 145153838) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene.

Molecular Properties

Compound Name(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
PubChem CID145153838
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
SMILESC=CC(=C(C)C)/C(C=C)=C\CC
InChIInChI=1S/C12H18/c1-6-9-11(7-2)12(8-3)10(4)5/h7-9H,2-3,6H2,1,4-5H3/b11-9-
InChIKeyQNHWTDOTKGFYOA-LUAWRHEFSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.03
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

Lycopene
CID 446925
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
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene?
The IUPAC name of (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene (CID 145153838) is (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene.
What is the SMILES notation for (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene?
The canonical SMILES for (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene is C=CC(=C(C)C)/C(C=C)=C\CC.
What is the InChIKey of (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene?
The InChIKey is QNHWTDOTKGFYOA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H18/c1-6-9-11(7-2)12(8-3)10(4)5/h7-9H,2-3,6H2,1,4-5H3/b11-9-.
What are the key properties of (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene?
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene has a molecular weight of 162.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene is sourced from PubChem (CID 145153838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).