2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane

C21H40 — CID 123626592

IUPAC2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane
SMILESCCC(C)(CC)C1CCCCCCCCCCC2CC1C2
InChIInChI=1S/C21H40/c1-4-21(3,5-2)20-15-13-11-9-7-6-8-10-12-14-18-16-19(20)17-18/h18-20H,4-17H2,1-3H3
InChIKeyOLHQTZLVMQZNCH-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.37
Rot. Bonds3

About 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane

2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane (PubChem CID 123626592) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane
PubChem CID123626592
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane
SMILESCCC(C)(CC)C1CCCCCCCCCCC2CC1C2
InChIInChI=1S/C21H40/c1-4-21(3,5-2)20-15-13-11-9-7-6-8-10-12-14-18-16-19(20)17-18/h18-20H,4-17H2,1-3H3
InChIKeyOLHQTZLVMQZNCH-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(3-methylpentan-3-yl)cyclohexane
CID 123475804
2-(2-methylbutan-2-yl)bicyclo[3.1.1]heptane
CID 123158926
3-methylpentan-3-ylcycloundecane
CID 123467319
2-(1-amino-2-methylbutan-2-yl)cyclohexan-1-ol
CID 130514709
8-(2,2-dimethylpropyl)bicyclo[4.3.1]decane
CID 140778092
bicyclo[3.1.1]heptane;bicyclo[4.1.0]heptane;ethane;propane
CID 90909345
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine
CID 82933365
6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
CID 171097692
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)
CID 158113011
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane?
The IUPAC name of 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane (CID 123626592) is 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane.
What is the SMILES notation for 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane?
The canonical SMILES for 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane is CCC(C)(CC)C1CCCCCCCCCCC2CC1C2.
What is the InChIKey of 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane?
The InChIKey is OLHQTZLVMQZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-4-21(3,5-2)20-15-13-11-9-7-6-8-10-12-14-18-16-19(20)17-18/h18-20H,4-17H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane?
2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane has a molecular weight of 292.55 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane is sourced from PubChem (CID 123626592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).