2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene

C12H14 — CID 143984358

IUPAC2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene
SMILESC=CC(=C)/C=C\C1=CCCC=C1
InChIInChI=1S/C12H14/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,5,7-10H,1-2,4,6H2/b10-9-
InChIKeyRCQCNAWNUVAFDO-KTKRTIGZSA-N
MW158.24 g/mol
LogP3.56
Rot. Bonds3

About 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene

2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene (PubChem CID 143984358) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene
PubChem CID143984358
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene
SMILESC=CC(=C)/C=C\C1=CCCC=C1
InChIInChI=1S/C12H14/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,5,7-10H,1-2,4,6H2/b10-9-
InChIKeyRCQCNAWNUVAFDO-KTKRTIGZSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.56
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 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene (CID 143984358) is 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene is C=CC(=C)/C=C\C1=CCCC=C1.
What is the InChIKey of 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene?
The InChIKey is RCQCNAWNUVAFDO-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H14/c1-3-11(2)9-10-12-7-5-4-6-8-12/h3,5,7-10H,1-2,4,6H2/b10-9-.
What are the key properties of 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene?
2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143984358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).