1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane

C13H22 — CID 10954099

IUPAC1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane
SMILESC=C1C(=C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H22/c1-9-10(2)12(5,6)13(7,8)11(9,3)4/h1-2H2,3-8H3
InChIKeyDMXXMAGNKQCZCX-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.19
Rot. Bonds

About 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane

1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane (PubChem CID 10954099) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane
PubChem CID10954099
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane
SMILESC=C1C(=C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H22/c1-9-10(2)12(5,6)13(7,8)11(9,3)4/h1-2H2,3-8H3
InChIKeyDMXXMAGNKQCZCX-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane (CID 10954099) is 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane is C=C1C(=C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane?
The InChIKey is DMXXMAGNKQCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-9-10(2)12(5,6)13(7,8)11(9,3)4/h1-2H2,3-8H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane?
1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane has a molecular weight of 178.32 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethyl-4,5-dimethylidenecyclopentane is sourced from PubChem (CID 10954099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).