(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane

C17H34 — CID 163612675

IUPAC(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
SMILESCCC(C)C(CC)(CC)C(C)(C)C1CCCC1
InChIInChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3
InChIKeyHHHDLJUBOKFIMR-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds6

About (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane

(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane (PubChem CID 163612675) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
PubChem CID163612675
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane
SMILESCCC(C)C(CC)(CC)C(C)(C)C1CCCC1
InChIInChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3
InChIKeyHHHDLJUBOKFIMR-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclobutyl-N,3-dimethylpentan-2-amine
CID 155373866
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
CID 54153860
3-methylpentan-3-ylcycloundecane
CID 123467319
1,1-dicyclopentylpropylphosphane
CID 66992387
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
2-cyclopentylbutan-2-amine
CID 43810238
(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane
CID 153286175
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
2-cyclohexylbutan-2-ol
CID 14023764

Frequently Asked Questions

What is the IUPAC name of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The IUPAC name of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane (CID 163612675) is (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane.
What is the SMILES notation for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The canonical SMILES for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane is CCC(C)C(CC)(CC)C(C)(C)C1CCCC1.
What is the InChIKey of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
The InChIKey is HHHDLJUBOKFIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-14(4)17(8-2,9-3)16(5,6)15-12-10-11-13-15/h14-15H,7-13H2,1-6H3.
What are the key properties of (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane?
(3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethyl-2,4-dimethylhexan-2-yl)cyclopentane is sourced from PubChem (CID 163612675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).