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

C12H16 — CID 145302798

IUPAC5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C(/C=C\CC)C1C=CC=CC1
InChIInChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h4-9,12H,2-3,10H2,1H3/b8-4-
InChIKeyLVJNJQRBHXHQHZ-YWEYNIOJSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds3

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

5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene (PubChem CID 145302798) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
PubChem CID145302798
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C(/C=C\CC)C1C=CC=CC1
InChIInChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h4-9,12H,2-3,10H2,1H3/b8-4-
InChIKeyLVJNJQRBHXHQHZ-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene (CID 145302798) is 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene is C=C(/C=C\CC)C1C=CC=CC1.
What is the InChIKey of 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene?
The InChIKey is LVJNJQRBHXHQHZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H16/c1-3-4-8-11(2)12-9-6-5-7-10-12/h4-9,12H,2-3,10H2,1H3/b8-4-.
What are the key properties of 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene?
5-[(3Z)-hexa-1,3-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 5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 145302798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).