1,1,2,2,3-pentamethylcyclobutane

C9H18 — CID 20669383

IUPAC1,1,2,2,3-pentamethylcyclobutane
SMILESCC1CC(C)(C)C1(C)C
InChIInChI=1S/C9H18/c1-7-6-8(2,3)9(7,4)5/h7H,6H2,1-5H3
InChIKeyNKLPTBFCNPXCHY-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About 1,1,2,2,3-pentamethylcyclobutane

1,1,2,2,3-pentamethylcyclobutane (PubChem CID 20669383) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,1,2,2,3-pentamethylcyclobutane.

Molecular Properties

Compound Name1,1,2,2,3-pentamethylcyclobutane
PubChem CID20669383
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,1,2,2,3-pentamethylcyclobutane
SMILESCC1CC(C)(C)C1(C)C
InChIInChI=1S/C9H18/c1-7-6-8(2,3)9(7,4)5/h7H,6H2,1-5H3
InChIKeyNKLPTBFCNPXCHY-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
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-pentamethylcyclobutane?
The IUPAC name of 1,1,2,2,3-pentamethylcyclobutane (CID 20669383) is 1,1,2,2,3-pentamethylcyclobutane.
What is the SMILES notation for 1,1,2,2,3-pentamethylcyclobutane?
The canonical SMILES for 1,1,2,2,3-pentamethylcyclobutane is CC1CC(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3-pentamethylcyclobutane?
The InChIKey is NKLPTBFCNPXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-7-6-8(2,3)9(7,4)5/h7H,6H2,1-5H3.
What are the key properties of 1,1,2,2,3-pentamethylcyclobutane?
1,1,2,2,3-pentamethylcyclobutane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 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-pentamethylcyclobutane is sourced from PubChem (CID 20669383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).