1,1-dimethylcyclohexane;ethane

C14H34 — CID 91473980

IUPAC1,1-dimethylcyclohexane;ethane
SMILESCC.CC.CC.CC1(C)CCCCC1
InChIInChI=1S/C8H16.3C2H6/c1-8(2)6-4-3-5-7-8;3*1-2/h3-7H2,1-2H3;3*1-2H3
InChIKeyNOLPLYINGLJMEL-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.06
Rot. Bonds

About 1,1-dimethylcyclohexane;ethane

1,1-dimethylcyclohexane;ethane (PubChem CID 91473980) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;ethane.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;ethane
PubChem CID91473980
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Name1,1-dimethylcyclohexane;ethane
SMILESCC.CC.CC.CC1(C)CCCCC1
InChIInChI=1S/C8H16.3C2H6/c1-8(2)6-4-3-5-7-8;3*1-2/h3-7H2,1-2H3;3*1-2H3
InChIKeyNOLPLYINGLJMEL-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;ethane?
The IUPAC name of 1,1-dimethylcyclohexane;ethane (CID 91473980) is 1,1-dimethylcyclohexane;ethane.
What is the SMILES notation for 1,1-dimethylcyclohexane;ethane?
The canonical SMILES for 1,1-dimethylcyclohexane;ethane is CC.CC.CC.CC1(C)CCCCC1.
What is the InChIKey of 1,1-dimethylcyclohexane;ethane?
The InChIKey is NOLPLYINGLJMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.3C2H6/c1-8(2)6-4-3-5-7-8;3*1-2/h3-7H2,1-2H3;3*1-2H3.
What are the key properties of 1,1-dimethylcyclohexane;ethane?
1,1-dimethylcyclohexane;ethane has a molecular weight of 202.43 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;ethane is sourced from PubChem (CID 91473980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).