(1R)-1,3-dimethylcyclohexane

C8H16 — CID 12594306

IUPAC(1R)-1,3-dimethylcyclohexane
SMILESCC1CCC[C@@H](C)C1
InChIInChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeySGVUHPSBDNVHKL-GVHYBUMESA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About (1R)-1,3-dimethylcyclohexane

(1R)-1,3-dimethylcyclohexane (PubChem CID 12594306) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (1R)-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name(1R)-1,3-dimethylcyclohexane
PubChem CID12594306
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(1R)-1,3-dimethylcyclohexane
SMILESCC1CCC[C@@H](C)C1
InChIInChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeySGVUHPSBDNVHKL-GVHYBUMESA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 175388606
CID 175388606
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
1,3,5-trimethylcyclododecane
CID 123355776
benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
CID 158573077
cyclooctane;methylcyclobutane
CID 159456217
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
1,3,6,8-tetramethylcyclodecane
CID 162455053
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
cyclobutane;ethane;methylcyclobutane
CID 158121682
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-dimethylcyclohexane?
The IUPAC name of (1R)-1,3-dimethylcyclohexane (CID 12594306) is (1R)-1,3-dimethylcyclohexane.
What is the SMILES notation for (1R)-1,3-dimethylcyclohexane?
The canonical SMILES for (1R)-1,3-dimethylcyclohexane is CC1CCC[C@@H](C)C1.
What is the InChIKey of (1R)-1,3-dimethylcyclohexane?
The InChIKey is SGVUHPSBDNVHKL-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (1R)-1,3-dimethylcyclohexane?
(1R)-1,3-dimethylcyclohexane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-dimethylcyclohexane is sourced from PubChem (CID 12594306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).