[(4R)-2-methylheptan-4-yl]cyclohexane

C14H28 — CID 140562614

IUPAC[(4R)-2-methylheptan-4-yl]cyclohexane
SMILESCCC[C@H](CC(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyNGERIOSHPCWQMU-CQSZACIVSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds5

About [(4R)-2-methylheptan-4-yl]cyclohexane

[(4R)-2-methylheptan-4-yl]cyclohexane (PubChem CID 140562614) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is [(4R)-2-methylheptan-4-yl]cyclohexane.

Molecular Properties

Compound Name[(4R)-2-methylheptan-4-yl]cyclohexane
PubChem CID140562614
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name[(4R)-2-methylheptan-4-yl]cyclohexane
SMILESCCC[C@H](CC(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyNGERIOSHPCWQMU-CQSZACIVSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
hexadecan-8-ylcyclohexane
CID 91510029
4-methyl-6-(3-methylcyclononyl)nonan-3-ol
CID 123945349
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-methylheptan-4-yl]cyclohexane?
The IUPAC name of [(4R)-2-methylheptan-4-yl]cyclohexane (CID 140562614) is [(4R)-2-methylheptan-4-yl]cyclohexane.
What is the SMILES notation for [(4R)-2-methylheptan-4-yl]cyclohexane?
The canonical SMILES for [(4R)-2-methylheptan-4-yl]cyclohexane is CCC[C@H](CC(C)C)C1CCCCC1.
What is the InChIKey of [(4R)-2-methylheptan-4-yl]cyclohexane?
The InChIKey is NGERIOSHPCWQMU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h12-14H,4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(4R)-2-methylheptan-4-yl]cyclohexane?
[(4R)-2-methylheptan-4-yl]cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-methylheptan-4-yl]cyclohexane is sourced from PubChem (CID 140562614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).