5-hexylidene-2-methylcyclopenta-1,3-diene

C12H18 — CID 139772285

IUPAC5-hexylidene-2-methylcyclopenta-1,3-diene
SMILESCCCCCC=C1C=CC(C)=C1
InChIInChI=1S/C12H18/c1-3-4-5-6-7-12-9-8-11(2)10-12/h7-10H,3-6H2,1-2H3
InChIKeyGTLBUKWUBDYEMX-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds4

About 5-hexylidene-2-methylcyclopenta-1,3-diene

5-hexylidene-2-methylcyclopenta-1,3-diene (PubChem CID 139772285) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-hexylidene-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-hexylidene-2-methylcyclopenta-1,3-diene
PubChem CID139772285
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-hexylidene-2-methylcyclopenta-1,3-diene
SMILESCCCCCC=C1C=CC(C)=C1
InChIInChI=1S/C12H18/c1-3-4-5-6-7-12-9-8-11(2)10-12/h7-10H,3-6H2,1-2H3
InChIKeyGTLBUKWUBDYEMX-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 58121399
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Frequently Asked Questions

What is the IUPAC name of 5-hexylidene-2-methylcyclopenta-1,3-diene?
The IUPAC name of 5-hexylidene-2-methylcyclopenta-1,3-diene (CID 139772285) is 5-hexylidene-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 5-hexylidene-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 5-hexylidene-2-methylcyclopenta-1,3-diene is CCCCCC=C1C=CC(C)=C1.
What is the InChIKey of 5-hexylidene-2-methylcyclopenta-1,3-diene?
The InChIKey is GTLBUKWUBDYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-4-5-6-7-12-9-8-11(2)10-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-hexylidene-2-methylcyclopenta-1,3-diene?
5-hexylidene-2-methylcyclopenta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylidene-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 139772285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).