1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene

C17H24 — CID 143745692

IUPAC1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C/C)C(CCC)C1=CC=CCC1
InChIInChI=1S/C17H24/c1-4-10-15(11-5-2)17(12-6-3)16-13-8-7-9-14-16/h4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3/b11-5-,15-10+
InChIKeyGORCKAKANGVJAJ-GMQVXISZSA-N
MW228.38 g/mol
LogP5.37
Rot. Bonds6

About 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene

1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene (PubChem CID 143745692) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene
PubChem CID143745692
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene
SMILESC=C/C=C(\C=C/C)C(CCC)C1=CC=CCC1
InChIInChI=1S/C17H24/c1-4-10-15(11-5-2)17(12-6-3)16-13-8-7-9-14-16/h4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3/b11-5-,15-10+
InChIKeyGORCKAKANGVJAJ-GMQVXISZSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene with MolForge

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Related Compounds

1-[(3E)-hepta-1,3-dien-4-yl]cyclohexa-1,3-diene
CID 142474101
(3E)-2-(cyclohexen-1-yl)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89352093
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
2-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 118601022
(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
CID 144815881
1-[(1Z,3E)-1-cyclohexa-1,3-dien-1-yl-3-methylhexa-1,3,5-trien-2-yl]-4-methylbenzene;(3Z)-2-methylpenta-1,3-diene
CID 142925856
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
2-cyclohexa-1,3-dien-1-yl-2-(dipropylamino)acetic acid
CID 123654210
2-[(3E)-2-cyclohexa-1,3-dien-1-ylhexa-1,3,5-trien-3-yl]oxyacetaldehyde
CID 143832928
1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
CID 173164220

Frequently Asked Questions

What is the IUPAC name of 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene (CID 143745692) is 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene is C=C/C=C(\C=C/C)C(CCC)C1=CC=CCC1.
What is the InChIKey of 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene?
The InChIKey is GORCKAKANGVJAJ-GMQVXISZSA-N. The full InChI is InChI=1S/C17H24/c1-4-10-15(11-5-2)17(12-6-3)16-13-8-7-9-14-16/h4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3/b11-5-,15-10+.
What are the key properties of 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene?
1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 143745692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).