1,1,3-triethyl-2-methylcyclopentane

C12H24 — CID 123903996

IUPAC1,1,3-triethyl-2-methylcyclopentane
SMILESCCC1CCC(CC)(CC)C1C
InChIInChI=1S/C12H24/c1-5-11-8-9-12(6-2,7-3)10(11)4/h10-11H,5-9H2,1-4H3
InChIKeyPRCZOTGSAOZWSM-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1,1,3-triethyl-2-methylcyclopentane

1,1,3-triethyl-2-methylcyclopentane (PubChem CID 123903996) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1,3-triethyl-2-methylcyclopentane.

Molecular Properties

Compound Name1,1,3-triethyl-2-methylcyclopentane
PubChem CID123903996
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1,3-triethyl-2-methylcyclopentane
SMILESCCC1CCC(CC)(CC)C1C
InChIInChI=1S/C12H24/c1-5-11-8-9-12(6-2,7-3)10(11)4/h10-11H,5-9H2,1-4H3
InChIKeyPRCZOTGSAOZWSM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-triethyl-2-methylcyclopentane?
The IUPAC name of 1,1,3-triethyl-2-methylcyclopentane (CID 123903996) is 1,1,3-triethyl-2-methylcyclopentane.
What is the SMILES notation for 1,1,3-triethyl-2-methylcyclopentane?
The canonical SMILES for 1,1,3-triethyl-2-methylcyclopentane is CCC1CCC(CC)(CC)C1C.
What is the InChIKey of 1,1,3-triethyl-2-methylcyclopentane?
The InChIKey is PRCZOTGSAOZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-8-9-12(6-2,7-3)10(11)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1,3-triethyl-2-methylcyclopentane?
1,1,3-triethyl-2-methylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethyl-2-methylcyclopentane is sourced from PubChem (CID 123903996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).