2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene

C13H18 — CID 144902393

IUPAC2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
SMILESCC/C=C\C=C/C1=CC(C)CC=C1
InChIInChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h4-7,9-12H,3,8H2,1-2H3/b5-4-,9-6-
InChIKeyLZVBWABXMIPSSY-WXOLFVLTSA-N
MW174.29 g/mol
LogP4.03
Rot. Bonds3

About 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene

2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene (PubChem CID 144902393) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
PubChem CID144902393
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
SMILESCC/C=C\C=C/C1=CC(C)CC=C1
InChIInChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h4-7,9-12H,3,8H2,1-2H3/b5-4-,9-6-
InChIKeyLZVBWABXMIPSSY-WXOLFVLTSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
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

6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
CID 143382100
1-fluoro-5-methyl-3-[(E)-2-(3-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
CID 170147091
2-but-3-enyl-6-methylcyclohexa-1,3-diene
CID 143907191
(3Z,5Z,10Z,12Z)-5-[(1Z,3Z)-hepta-1,3-dienyl]-7-methyl-1-oxacyclotetradeca-3,5,10,12-tetraen-8-one
CID 145218639
4-hexa-1,3-dienylcyclopentene
CID 78200788
(5E)-octa-3,5-diene
CID 173104147
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene (CID 144902393) is 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene is CC/C=C\C=C/C1=CC(C)CC=C1.
What is the InChIKey of 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene?
The InChIKey is LZVBWABXMIPSSY-WXOLFVLTSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h4-7,9-12H,3,8H2,1-2H3/b5-4-,9-6-.
What are the key properties of 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene?
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 144902393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).