1,1,2,4-tetramethylcyclopentane

C9H18 — CID 522010

IUPAC1,1,2,4-tetramethylcyclopentane
SMILESCC1CC(C)C(C)(C)C1
InChIInChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3
InChIKeyAVBGIJNNMIBMQG-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About 1,1,2,4-tetramethylcyclopentane

1,1,2,4-tetramethylcyclopentane (PubChem CID 522010) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,1,2,4-tetramethylcyclopentane.

Molecular Properties

Compound Name1,1,2,4-tetramethylcyclopentane
PubChem CID522010
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,1,2,4-tetramethylcyclopentane
SMILESCC1CC(C)C(C)(C)C1
InChIInChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3
InChIKeyAVBGIJNNMIBMQG-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 1,1,2,4-tetramethylcyclopentane?
The IUPAC name of 1,1,2,4-tetramethylcyclopentane (CID 522010) is 1,1,2,4-tetramethylcyclopentane.
What is the SMILES notation for 1,1,2,4-tetramethylcyclopentane?
The canonical SMILES for 1,1,2,4-tetramethylcyclopentane is CC1CC(C)C(C)(C)C1.
What is the InChIKey of 1,1,2,4-tetramethylcyclopentane?
The InChIKey is AVBGIJNNMIBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1,2,4-tetramethylcyclopentane?
1,1,2,4-tetramethylcyclopentane 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 1,1,2,4-tetramethylcyclopentane is sourced from PubChem (CID 522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).