1,1-dimethylcyclohexane

C8H16 — CID 11549

IUPAC1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1
InChIInChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyQEGNUYASOUJEHD-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.98
Rot. Bonds

About 1,1-dimethylcyclohexane

1,1-dimethylcyclohexane (PubChem CID 11549) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane.

Molecular Properties

Compound Name1,1-dimethylcyclohexane
PubChem CID11549
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1
InChIInChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyQEGNUYASOUJEHD-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-Trimethylheptane
CID 26839
1,1,3,5-Tetramethylcyclohexane
CID 107263
trans-1,1,3,5-Tetramethylcyclohexane
CID 55250338
Cyclogeraniolane
CID 18309
1,1,2-Trimethylcyclohexane
CID 35363
4,4-Dimethylheptane
CID 136827
3,3-Dimethylheptane
CID 520991
cis-1,1,3,5-Tetramethylcyclohexane
CID 6432486
2,2,4,6,6-Pentamethylheptane
CID 26058
1-Methyl-1-ethylcyclohexane
CID 35411
tert-Butylcyclohexane
CID 18508
1,1,4-Trimethylcyclohexane
CID 35365

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane?
The IUPAC name of 1,1-dimethylcyclohexane (CID 11549) is 1,1-dimethylcyclohexane.
What is the SMILES notation for 1,1-dimethylcyclohexane?
The canonical SMILES for 1,1-dimethylcyclohexane is CC1(C)CCCCC1.
What is the InChIKey of 1,1-dimethylcyclohexane?
The InChIKey is QEGNUYASOUJEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3.
What are the key properties of 1,1-dimethylcyclohexane?
1,1-dimethylcyclohexane has a molecular weight of 112.22 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane is sourced from PubChem (CID 11549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).