1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane

C18H34 — CID 163486392

IUPAC1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane
SMILESCCC(C)(C)C12CCCCC(C(C)C)(CCC1)C2
InChIInChI=1S/C18H34/c1-6-16(4,5)18-12-8-7-10-17(14-18,15(2)3)11-9-13-18/h15H,6-14H2,1-5H3
InChIKeyCIXFDIMNUUTCGK-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.20
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane

1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane (PubChem CID 163486392) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane
PubChem CID163486392
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane
SMILESCCC(C)(C)C12CCCCC(C(C)C)(CCC1)C2
InChIInChI=1S/C18H34/c1-6-16(4,5)18-12-8-7-10-17(14-18,15(2)3)11-9-13-18/h15H,6-14H2,1-5H3
InChIKeyCIXFDIMNUUTCGK-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane
CID 167137861
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569
1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
CID 171426814
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane
CID 123853470
1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
CID 176984621
(5S,7R)-1-tert-butyl-3-propan-2-yladamantane
CID 11806605
1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
CID 134473496
1-methyl-1-propan-2-ylcyclohexane;1-propan-2-yladamantane;2,2,3-trimethylbutane;2,3,3-trimethylpentane
CID 158440041
4-methyl-4-(2-methylbutan-2-yl)piperidine
CID 90425347

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane?
The IUPAC name of 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane (CID 163486392) is 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane?
The canonical SMILES for 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane is CCC(C)(C)C12CCCCC(C(C)C)(CCC1)C2.
What is the InChIKey of 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane?
The InChIKey is CIXFDIMNUUTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-6-16(4,5)18-12-8-7-10-17(14-18,15(2)3)11-9-13-18/h15H,6-14H2,1-5H3.
What are the key properties of 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane?
1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane has a molecular weight of 250.47 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane is sourced from PubChem (CID 163486392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).