2,3,5,5-tetramethylhexylcyclohexane

C16H32 — CID 57232687

IUPAC2,3,5,5-tetramethylhexylcyclohexane
SMILESCC(CC1CCCCC1)C(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(14(2)12-16(3,4)5)11-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3
InChIKeyLYVPPGBLLZKJQV-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds4

About 2,3,5,5-tetramethylhexylcyclohexane

2,3,5,5-tetramethylhexylcyclohexane (PubChem CID 57232687) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,3,5,5-tetramethylhexylcyclohexane.

Molecular Properties

Compound Name2,3,5,5-tetramethylhexylcyclohexane
PubChem CID57232687
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,3,5,5-tetramethylhexylcyclohexane
SMILESCC(CC1CCCCC1)C(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-13(14(2)12-16(3,4)5)11-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3
InChIKeyLYVPPGBLLZKJQV-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethylbutylcyclodecane
CID 123220792
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
(3-chloro-2-methylbutyl)cyclopentane
CID 63459666
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethylhexylcyclohexane?
The IUPAC name of 2,3,5,5-tetramethylhexylcyclohexane (CID 57232687) is 2,3,5,5-tetramethylhexylcyclohexane.
What is the SMILES notation for 2,3,5,5-tetramethylhexylcyclohexane?
The canonical SMILES for 2,3,5,5-tetramethylhexylcyclohexane is CC(CC1CCCCC1)C(C)CC(C)(C)C.
What is the InChIKey of 2,3,5,5-tetramethylhexylcyclohexane?
The InChIKey is LYVPPGBLLZKJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-13(14(2)12-16(3,4)5)11-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3.
What are the key properties of 2,3,5,5-tetramethylhexylcyclohexane?
2,3,5,5-tetramethylhexylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethylhexylcyclohexane is sourced from PubChem (CID 57232687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).