1,1,2,3-tetramethylcyclohexane

C10H20 — CID 549623

IUPAC1,1,2,3-tetramethylcyclohexane
SMILESCC1CCCC(C)(C)C1C
InChIInChI=1S/C10H20/c1-8-6-5-7-10(3,4)9(8)2/h8-9H,5-7H2,1-4H3
InChIKeyBUOAKQCLRBVIOX-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds

About 1,1,2,3-tetramethylcyclohexane

1,1,2,3-tetramethylcyclohexane (PubChem CID 549623) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1,1,2,3-tetramethylcyclohexane.

Molecular Properties

Compound Name1,1,2,3-tetramethylcyclohexane
PubChem CID549623
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1,1,2,3-tetramethylcyclohexane
SMILESCC1CCCC(C)(C)C1C
InChIInChI=1S/C10H20/c1-8-6-5-7-10(3,4)9(8)2/h8-9H,5-7H2,1-4H3
InChIKeyBUOAKQCLRBVIOX-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetramethylcyclohexane?
The IUPAC name of 1,1,2,3-tetramethylcyclohexane (CID 549623) is 1,1,2,3-tetramethylcyclohexane.
What is the SMILES notation for 1,1,2,3-tetramethylcyclohexane?
The canonical SMILES for 1,1,2,3-tetramethylcyclohexane is CC1CCCC(C)(C)C1C.
What is the InChIKey of 1,1,2,3-tetramethylcyclohexane?
The InChIKey is BUOAKQCLRBVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-8-6-5-7-10(3,4)9(8)2/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,1,2,3-tetramethylcyclohexane?
1,1,2,3-tetramethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethylcyclohexane is sourced from PubChem (CID 549623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).