2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene

C12H16 — CID 145269063

IUPAC2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(C)C1=CCCC=C1
InChIInChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b8-4-
InChIKeyJOELOVYKIYSSID-YWEYNIOJSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds3

About 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene

2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene (PubChem CID 145269063) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
PubChem CID145269063
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(C)C1=CCCC=C1
InChIInChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b8-4-
InChIKeyJOELOVYKIYSSID-YWEYNIOJSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
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

2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene
CID 159233794
2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
CID 142158229
ethane;2-(4-ethenylhept-6-en-3-yl)cyclohexa-1,3-diene
CID 162530177
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
N-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-(methylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 176676763
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
(1R)-2-[[(3E,5E)-6-aminoocta-3,5,7-trienyl]amino]-1-cyclohexa-1,5-dien-1-ylethanol
CID 135129031

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene (CID 145269063) is 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene is C=C/C=C\C(C)C1=CCCC=C1.
What is the InChIKey of 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene?
The InChIKey is JOELOVYKIYSSID-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h3-4,6,8-11H,1,5,7H2,2H3/b8-4-.
What are the key properties of 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene?
2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 145269063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).