1,1-dimethylcyclohexane;methane

C12H32 — CID 160770296

IUPAC1,1-dimethylcyclohexane;methane
SMILESC.C.C.C.CC1(C)CCCCC1
InChIInChI=1S/C8H16.4CH4/c1-8(2)6-4-3-5-7-8;;;;/h3-7H2,1-2H3;4*1H4
InChIKeyRZFNUBIKPLAQJN-UHFFFAOYSA-N
MW176.39 g/mol
LogP5.52
Rot. Bonds

About 1,1-dimethylcyclohexane;methane

1,1-dimethylcyclohexane;methane (PubChem CID 160770296) has the molecular formula C12H32 and a molecular weight of 176.39 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;methane.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;methane
PubChem CID160770296
Molecular FormulaC12H32
Molecular Weight176.39 g/mol
Exact Mass176.25
IUPAC Name1,1-dimethylcyclohexane;methane
SMILESC.C.C.C.CC1(C)CCCCC1
InChIInChI=1S/C8H16.4CH4/c1-8(2)6-4-3-5-7-8;;;;/h3-7H2,1-2H3;4*1H4
InChIKeyRZFNUBIKPLAQJN-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500176.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
azane;1,1-dimethylcyclohexane
CID 90411117
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
1,1,5-trimethylcycloundecane
CID 161434950
1-methyl-1-(trideuteriomethyl)cyclohexane
CID 164729390
1,1,2,2,5,5-hexamethylcyclononane
CID 123180504
1,1-dimethylcyclobutane;vanadium
CID 158712416

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;methane?
The IUPAC name of 1,1-dimethylcyclohexane;methane (CID 160770296) is 1,1-dimethylcyclohexane;methane.
What is the SMILES notation for 1,1-dimethylcyclohexane;methane?
The canonical SMILES for 1,1-dimethylcyclohexane;methane is C.C.C.C.CC1(C)CCCCC1.
What is the InChIKey of 1,1-dimethylcyclohexane;methane?
The InChIKey is RZFNUBIKPLAQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.4CH4/c1-8(2)6-4-3-5-7-8;;;;/h3-7H2,1-2H3;4*1H4.
What are the key properties of 1,1-dimethylcyclohexane;methane?
1,1-dimethylcyclohexane;methane has a molecular weight of 176.39 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;methane is sourced from PubChem (CID 160770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).