1,1,2,2,3-pentamethylcyclopropane

C8H16 — CID 544180

IUPAC1,1,2,2,3-pentamethylcyclopropane
SMILESCC1C(C)(C)C1(C)C
InChIInChI=1S/C8H16/c1-6-7(2,3)8(6,4)5/h6H,1-5H3
InChIKeyHZWWOIZNPKPEJN-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.69
Rot. Bonds

About 1,1,2,2,3-pentamethylcyclopropane

1,1,2,2,3-pentamethylcyclopropane (PubChem CID 544180) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,1,2,2,3-pentamethylcyclopropane.

Molecular Properties

Compound Name1,1,2,2,3-pentamethylcyclopropane
PubChem CID544180
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,1,2,2,3-pentamethylcyclopropane
SMILESCC1C(C)(C)C1(C)C
InChIInChI=1S/C8H16/c1-6-7(2,3)8(6,4)5/h6H,1-5H3
InChIKeyHZWWOIZNPKPEJN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-pentamethylcyclopropane?
The IUPAC name of 1,1,2,2,3-pentamethylcyclopropane (CID 544180) is 1,1,2,2,3-pentamethylcyclopropane.
What is the SMILES notation for 1,1,2,2,3-pentamethylcyclopropane?
The canonical SMILES for 1,1,2,2,3-pentamethylcyclopropane is CC1C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3-pentamethylcyclopropane?
The InChIKey is HZWWOIZNPKPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-6-7(2,3)8(6,4)5/h6H,1-5H3.
What are the key properties of 1,1,2,2,3-pentamethylcyclopropane?
1,1,2,2,3-pentamethylcyclopropane has a molecular weight of 112.22 g/mol, XLogP of 2.69, 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-pentamethylcyclopropane is sourced from PubChem (CID 544180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).