1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane

C19H32 — CID 123141575

IUPAC1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane
SMILESC=C(CCCCCCCC)CCC1C(=C)CCC1=C
InChIInChI=1S/C19H32/c1-5-6-7-8-9-10-11-16(2)12-15-19-17(3)13-14-18(19)4/h19H,2-15H2,1H3
InChIKeyVEGVZBZICJDZEL-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.60
Rot. Bonds10

About 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane

1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane (PubChem CID 123141575) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane.

Molecular Properties

Compound Name1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane
PubChem CID123141575
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane
SMILESC=C(CCCCCCCC)CCC1C(=C)CCC1=C
InChIInChI=1S/C19H32/c1-5-6-7-8-9-10-11-16(2)12-15-19-17(3)13-14-18(19)4/h19H,2-15H2,1H3
InChIKeyVEGVZBZICJDZEL-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane?
The IUPAC name of 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane (CID 123141575) is 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane.
What is the SMILES notation for 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane?
The canonical SMILES for 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane is C=C(CCCCCCCC)CCC1C(=C)CCC1=C.
What is the InChIKey of 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane?
The InChIKey is VEGVZBZICJDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-6-7-8-9-10-11-16(2)12-15-19-17(3)13-14-18(19)4/h19H,2-15H2,1H3.
What are the key properties of 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane?
1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane has a molecular weight of 260.46 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylidene-2-(3-methylideneundecyl)cyclopentane is sourced from PubChem (CID 123141575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).