(2,3,4-trimethylcyclopentyl) formate

C9H16O2 — CID 54219645

IUPAC(2,3,4-trimethylcyclopentyl) formate
SMILESCC1CC(OC=O)C(C)C1C
InChIInChI=1S/C9H16O2/c1-6-4-9(11-5-10)8(3)7(6)2/h5-9H,4H2,1-3H3
InChIKeyQBQWIRAPXBIORH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds2

About (2,3,4-trimethylcyclopentyl) formate

(2,3,4-trimethylcyclopentyl) formate (PubChem CID 54219645) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2,3,4-trimethylcyclopentyl) formate.

Molecular Properties

Compound Name(2,3,4-trimethylcyclopentyl) formate
PubChem CID54219645
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2,3,4-trimethylcyclopentyl) formate
SMILESCC1CC(OC=O)C(C)C1C
InChIInChI=1S/C9H16O2/c1-6-4-9(11-5-10)8(3)7(6)2/h5-9H,4H2,1-3H3
InChIKeyQBQWIRAPXBIORH-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethylcyclopentyl) formate?
The IUPAC name of (2,3,4-trimethylcyclopentyl) formate (CID 54219645) is (2,3,4-trimethylcyclopentyl) formate.
What is the SMILES notation for (2,3,4-trimethylcyclopentyl) formate?
The canonical SMILES for (2,3,4-trimethylcyclopentyl) formate is CC1CC(OC=O)C(C)C1C.
What is the InChIKey of (2,3,4-trimethylcyclopentyl) formate?
The InChIKey is QBQWIRAPXBIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-9(11-5-10)8(3)7(6)2/h5-9H,4H2,1-3H3.
What are the key properties of (2,3,4-trimethylcyclopentyl) formate?
(2,3,4-trimethylcyclopentyl) formate has a molecular weight of 156.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethylcyclopentyl) formate is sourced from PubChem (CID 54219645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).