1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane

C20H38 — CID 123591262

IUPAC1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane
SMILESCCC(C)C(C1CC2(C)CC(C)CC1C2)C(C)(C)CC
InChIInChI=1S/C20H38/c1-8-15(4)18(19(5,6)9-2)17-13-20(7)11-14(3)10-16(17)12-20/h14-18H,8-13H2,1-7H3
InChIKeyULQACZKXILLUMQ-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.55
Rot. Bonds5

About 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane

1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane (PubChem CID 123591262) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane
PubChem CID123591262
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane
SMILESCCC(C)C(C1CC2(C)CC(C)CC1C2)C(C)(C)CC
InChIInChI=1S/C20H38/c1-8-15(4)18(19(5,6)9-2)17-13-20(7)11-14(3)10-16(17)12-20/h14-18H,8-13H2,1-7H3
InChIKeyULQACZKXILLUMQ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
CID 79308584
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
3-methyl-4-[(3,3,5-trimethylcyclohexanecarbonyl)amino]butanoic acid
CID 120537138
1-(3,3-dimethylpentan-2-yl)-2-ethylbicyclo[1.1.1]pentane
CID 90721396
1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol
CID 143481598
2-methyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-2-amine
CID 62598683
(2-ethyl-5-methyl-2-adamantyl) 2,2-dimethylbutanoate
CID 67473183
2-(2,3-dimethylpentyl)-1,1-dimethylcyclopropane
CID 91014133
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane?
The IUPAC name of 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane (CID 123591262) is 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane.
What is the SMILES notation for 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane?
The canonical SMILES for 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane is CCC(C)C(C1CC2(C)CC(C)CC1C2)C(C)(C)CC.
What is the InChIKey of 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane?
The InChIKey is ULQACZKXILLUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-8-15(4)18(19(5,6)9-2)17-13-20(7)11-14(3)10-16(17)12-20/h14-18H,8-13H2,1-7H3.
What are the key properties of 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane?
1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane has a molecular weight of 278.52 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3,3,5-trimethylheptan-4-yl)bicyclo[3.2.1]octane is sourced from PubChem (CID 123591262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).