2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane

C21H38 — CID 90995011

IUPAC2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane
SMILESC=C1CC(=C)C(C(C)(C)CC(C)(C)CC)C1C(C)(C)CC
InChIInChI=1S/C21H38/c1-11-19(5,6)14-21(9,10)18-16(4)13-15(3)17(18)20(7,8)12-2/h17-18H,3-4,11-14H2,1-2,5-10H3
InChIKeyOSAUBGPCCRPCMF-UHFFFAOYSA-N
MW290.53 g/mol
LogP7.02
Rot. Bonds6

About 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane

2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane (PubChem CID 90995011) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane
PubChem CID90995011
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Name2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane
SMILESC=C1CC(=C)C(C(C)(C)CC(C)(C)CC)C1C(C)(C)CC
InChIInChI=1S/C21H38/c1-11-19(5,6)14-21(9,10)18-16(4)13-15(3)17(18)20(7,8)12-2/h17-18H,3-4,11-14H2,1-2,5-10H3
InChIKeyOSAUBGPCCRPCMF-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane?
The IUPAC name of 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane (CID 90995011) is 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane?
The canonical SMILES for 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane is C=C1CC(=C)C(C(C)(C)CC(C)(C)CC)C1C(C)(C)CC.
What is the InChIKey of 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane?
The InChIKey is OSAUBGPCCRPCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-11-19(5,6)14-21(9,10)18-16(4)13-15(3)17(18)20(7,8)12-2/h17-18H,3-4,11-14H2,1-2,5-10H3.
What are the key properties of 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane?
2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane has a molecular weight of 290.53 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-1,4-dimethylidene-3-(2,4,4-trimethylhexan-2-yl)cyclopentane is sourced from PubChem (CID 90995011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).