1,3-dimethylcyclohexane

C8H16 — CID 11564

IUPAC1,3-dimethylcyclohexane
SMILESCC1CCCC(C)C1
InChIInChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeySGVUHPSBDNVHKL-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About 1,3-dimethylcyclohexane

1,3-dimethylcyclohexane (PubChem CID 11564) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,3-dimethylcyclohexane.

Molecular Properties

Compound Name1,3-dimethylcyclohexane
PubChem CID11564
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,3-dimethylcyclohexane
SMILESCC1CCCC(C)C1
InChIInChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeySGVUHPSBDNVHKL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexane?
The IUPAC name of 1,3-dimethylcyclohexane (CID 11564) is 1,3-dimethylcyclohexane.
What is the SMILES notation for 1,3-dimethylcyclohexane?
The canonical SMILES for 1,3-dimethylcyclohexane is CC1CCCC(C)C1.
What is the InChIKey of 1,3-dimethylcyclohexane?
The InChIKey is SGVUHPSBDNVHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethylcyclohexane?
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 1,3-dimethylcyclohexane is sourced from PubChem (CID 11564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).