cis-(1R,2S)-1,2-dimethylcyclohexane;heptane

C15H32 — CID 142453951

IUPACcis-(1R,2S)-1,2-dimethylcyclohexane;heptane
SMILESCCCCCCC.C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16.C7H16/c1-7-5-3-4-6-8(7)2;1-3-5-7-6-4-2/h7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t7-,8+;
InChIKeyRGUMVWPDXWDCKW-KVZVIFLMSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds4

About cis-(1R,2S)-1,2-dimethylcyclohexane;heptane

cis-(1R,2S)-1,2-dimethylcyclohexane;heptane (PubChem CID 142453951) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dimethylcyclohexane;heptane.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-dimethylcyclohexane;heptane
PubChem CID142453951
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Namecis-(1R,2S)-1,2-dimethylcyclohexane;heptane
SMILESCCCCCCC.C[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16.C7H16/c1-7-5-3-4-6-8(7)2;1-3-5-7-6-4-2/h7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t7-,8+;
InChIKeyRGUMVWPDXWDCKW-KVZVIFLMSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2-methylcyclohexane
CID 123746851
ethane;tris(methylcyclohexane);octane
CID 142912940
1,2-dimethylcyclobutane;pentane
CID 142846915
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
cyclopropane;icosane
CID 162221728
1,2-dimethylcycloicosane
CID 123296856
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane;heptane?
The IUPAC name of cis-(1R,2S)-1,2-dimethylcyclohexane;heptane (CID 142453951) is cis-(1R,2S)-1,2-dimethylcyclohexane;heptane.
What is the SMILES notation for cis-(1R,2S)-1,2-dimethylcyclohexane;heptane?
The canonical SMILES for cis-(1R,2S)-1,2-dimethylcyclohexane;heptane is CCCCCCC.C[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-1,2-dimethylcyclohexane;heptane?
The InChIKey is RGUMVWPDXWDCKW-KVZVIFLMSA-N. The full InChI is InChI=1S/C8H16.C7H16/c1-7-5-3-4-6-8(7)2;1-3-5-7-6-4-2/h7-8H,3-6H2,1-2H3;3-7H2,1-2H3/t7-,8+;.
What are the key properties of cis-(1R,2S)-1,2-dimethylcyclohexane;heptane?
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-dimethylcyclohexane;heptane is sourced from PubChem (CID 142453951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).