1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane

C24H46 — CID 123395690

IUPAC1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane
SMILESCCCCC(C)CCCCC(C)C1CC(C2CCC(C)(C)C2C)C1
InChIInChI=1S/C24H46/c1-7-8-11-18(2)12-9-10-13-19(3)21-16-22(17-21)23-14-15-24(5,6)20(23)4/h18-23H,7-17H2,1-6H3
InChIKeyRTDJPWCDSDDFKX-UHFFFAOYSA-N
MW334.63 g/mol
LogP8.11
Rot. Bonds10

About 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane

1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane (PubChem CID 123395690) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane
PubChem CID123395690
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane
SMILESCCCCC(C)CCCCC(C)C1CC(C2CCC(C)(C)C2C)C1
InChIInChI=1S/C24H46/c1-7-8-11-18(2)12-9-10-13-19(3)21-16-22(17-21)23-14-15-24(5,6)20(23)4/h18-23H,7-17H2,1-6H3
InChIKeyRTDJPWCDSDDFKX-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 58.11
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

1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
octan-2-ylcyclopropane
CID 18968125
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
2-(6,10-dimethyltetradecan-2-yl)-1-ethyl-1-methyl-3-(6-methylheptan-2-yl)cyclopentane
CID 91753578
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,17-dimethylnonacosane
CID 56936184

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane?
The IUPAC name of 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane (CID 123395690) is 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane.
What is the SMILES notation for 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane?
The canonical SMILES for 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane is CCCCC(C)CCCCC(C)C1CC(C2CCC(C)(C)C2C)C1.
What is the InChIKey of 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane?
The InChIKey is RTDJPWCDSDDFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46/c1-7-8-11-18(2)12-9-10-13-19(3)21-16-22(17-21)23-14-15-24(5,6)20(23)4/h18-23H,7-17H2,1-6H3.
What are the key properties of 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane?
1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane has a molecular weight of 334.63 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane is sourced from PubChem (CID 123395690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).