1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene

C12H16 — CID 142890405

IUPAC1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene
SMILESC/C=C(C)/C=C\C1=CC=C(C)C1
InChIInChI=1S/C12H16/c1-4-10(2)5-7-12-8-6-11(3)9-12/h4-8H,9H2,1-3H3/b7-5-,10-4+
InChIKeyTWPKKWWECBPRSY-ACUVPTBSSA-N
MW160.26 g/mol
LogP3.79
Rot. Bonds2

About 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene

1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene (PubChem CID 142890405) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene
PubChem CID142890405
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene
SMILESC/C=C(C)/C=C\C1=CC=C(C)C1
InChIInChI=1S/C12H16/c1-4-10(2)5-7-12-8-6-11(3)9-12/h4-8H,9H2,1-3H3/b7-5-,10-4+
InChIKeyTWPKKWWECBPRSY-ACUVPTBSSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.79
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 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene?
The IUPAC name of 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene (CID 142890405) is 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene is C/C=C(C)/C=C\C1=CC=C(C)C1.
What is the InChIKey of 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene?
The InChIKey is TWPKKWWECBPRSY-ACUVPTBSSA-N. The full InChI is InChI=1S/C12H16/c1-4-10(2)5-7-12-8-6-11(3)9-12/h4-8H,9H2,1-3H3/b7-5-,10-4+.
What are the key properties of 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene?
1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene is sourced from PubChem (CID 142890405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).