2,5-dimethylhexan-3-ylcyclohexane

C14H28 — CID 90926992

IUPAC2,5-dimethylhexan-3-ylcyclohexane
SMILESCC(C)CC(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-11(2)10-14(12(3)4)13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3
InChIKeyYNRALJUJBZRGOT-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds4

About 2,5-dimethylhexan-3-ylcyclohexane

2,5-dimethylhexan-3-ylcyclohexane (PubChem CID 90926992) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,5-dimethylhexan-3-ylcyclohexane.

Molecular Properties

Compound Name2,5-dimethylhexan-3-ylcyclohexane
PubChem CID90926992
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,5-dimethylhexan-3-ylcyclohexane
SMILESCC(C)CC(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-11(2)10-14(12(3)4)13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3
InChIKeyYNRALJUJBZRGOT-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-cycloheptyl-4-methylpentanenitrile
CID 67965057
2-methyloctan-3-ylcycloheptane
CID 123273196
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614
(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexan-3-ylcyclohexane?
The IUPAC name of 2,5-dimethylhexan-3-ylcyclohexane (CID 90926992) is 2,5-dimethylhexan-3-ylcyclohexane.
What is the SMILES notation for 2,5-dimethylhexan-3-ylcyclohexane?
The canonical SMILES for 2,5-dimethylhexan-3-ylcyclohexane is CC(C)CC(C(C)C)C1CCCCC1.
What is the InChIKey of 2,5-dimethylhexan-3-ylcyclohexane?
The InChIKey is YNRALJUJBZRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)10-14(12(3)4)13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2,5-dimethylhexan-3-ylcyclohexane?
2,5-dimethylhexan-3-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexan-3-ylcyclohexane is sourced from PubChem (CID 90926992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).