(2-hexoxycyclopentyl) formate

C12H22O3 — CID 57110309

IUPAC(2-hexoxycyclopentyl) formate
SMILESCCCCCCOC1CCCC1OC=O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-9-14-11-7-6-8-12(11)15-10-13/h10-12H,2-9H2,1H3
InChIKeyQSBICXAQBYTJCD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.68
Rot. Bonds8

About (2-hexoxycyclopentyl) formate

(2-hexoxycyclopentyl) formate (PubChem CID 57110309) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2-hexoxycyclopentyl) formate.

Molecular Properties

Compound Name(2-hexoxycyclopentyl) formate
PubChem CID57110309
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2-hexoxycyclopentyl) formate
SMILESCCCCCCOC1CCCC1OC=O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-9-14-11-7-6-8-12(11)15-10-13/h10-12H,2-9H2,1H3
InChIKeyQSBICXAQBYTJCD-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-hexoxycyclopentyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-1,2-bis[(9Z,12Z)-octadeca-9,12-dienoxy]cyclopentane
CID 134314198
1,2-dibutoxycyclohexane
CID 24962665
1-iodo-2-pentoxycyclopentane
CID 114773690
2-octoxycyclohexan-1-amine
CID 43127889
2-heptoxycyclohexan-1-ol
CID 18953012
2-hexoxycyclododecan-1-amine
CID 43127854
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
heptoxycyclopropane
CID 54099544
3-hexadecoxy-2-methyloxane
CID 67870408
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760

Frequently Asked Questions

What is the IUPAC name of (2-hexoxycyclopentyl) formate?
The IUPAC name of (2-hexoxycyclopentyl) formate (CID 57110309) is (2-hexoxycyclopentyl) formate.
What is the SMILES notation for (2-hexoxycyclopentyl) formate?
The canonical SMILES for (2-hexoxycyclopentyl) formate is CCCCCCOC1CCCC1OC=O.
What is the InChIKey of (2-hexoxycyclopentyl) formate?
The InChIKey is QSBICXAQBYTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-9-14-11-7-6-8-12(11)15-10-13/h10-12H,2-9H2,1H3.
What are the key properties of (2-hexoxycyclopentyl) formate?
(2-hexoxycyclopentyl) formate has a molecular weight of 214.30 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexoxycyclopentyl) formate is sourced from PubChem (CID 57110309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).