1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane

C21H40 — CID 123849203

IUPAC1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane
SMILESC=C1CCCC1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H40/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-14-8-13-20(21)5/h17-19,21H,5-16H2,1-4H3
InChIKeyOVFXGFUUSSZLTP-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.39
Rot. Bonds11

About 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane

1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane (PubChem CID 123849203) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane.

Molecular Properties

Compound Name1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane
PubChem CID123849203
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane
SMILESC=C1CCCC1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H40/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-14-8-13-20(21)5/h17-19,21H,5-16H2,1-4H3
InChIKeyOVFXGFUUSSZLTP-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
1-methylidene-2-(2-methylprop-2-enyl)cyclopentane
CID 13218167
2-(3,7-dimethylnonyl)cyclopentan-1-ol;2-(3,7-dimethylnonyl)cyclopentan-1-one
CID 90010359
6,11,20,25,34,39-hexakis(3,7-dimethyloctyl)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),8,13(18),14,16,22,27(32),28,30,36-dodecaene
CID 101334040
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
6-(4,8-dimethylnonyl)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 71042337
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7-dimethyloctan-1-ol
CID 7792
2-(3,5,5-trimethylhexyl)cyclopentan-1-one
CID 139755713
(2-methylidenecyclopentyl)methanol;hydrochloride
CID 142907473
2-(2,5-dimethylhexyl)cyclopentan-1-one
CID 54572047

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane?
The IUPAC name of 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane (CID 123849203) is 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane.
What is the SMILES notation for 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane?
The canonical SMILES for 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane is C=C1CCCC1CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane?
The InChIKey is OVFXGFUUSSZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-14-8-13-20(21)5/h17-19,21H,5-16H2,1-4H3.
What are the key properties of 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane?
1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane has a molecular weight of 292.55 g/mol, XLogP of 7.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(3,7,11-trimethyldodecyl)cyclopentane is sourced from PubChem (CID 123849203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).