(3-ethoxycyclopentyl) formate

C8H14O3 — CID 87823769

IUPAC(3-ethoxycyclopentyl) formate
SMILESCCOC1CCC(OC=O)C1
InChIInChI=1S/C8H14O3/c1-2-10-7-3-4-8(5-7)11-6-9/h6-8H,2-5H2,1H3
InChIKeyUGHVNAVBFRCHDH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds4

About (3-ethoxycyclopentyl) formate

(3-ethoxycyclopentyl) formate (PubChem CID 87823769) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3-ethoxycyclopentyl) formate.

Molecular Properties

Compound Name(3-ethoxycyclopentyl) formate
PubChem CID87823769
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3-ethoxycyclopentyl) formate
SMILESCCOC1CCC(OC=O)C1
InChIInChI=1S/C8H14O3/c1-2-10-7-3-4-8(5-7)11-6-9/h6-8H,2-5H2,1H3
InChIKeyUGHVNAVBFRCHDH-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylcyclohexyl) formate
CID 57083456
1-ethenoxy-4-ethoxycyclohexane
CID 87407943
[3-(2-methylpropyl)-4-oxocyclohexyl] formate
CID 57179881
[4-(2-methylbutyl)cyclohexyl] formate
CID 118946894
(4-pentylcyclohexyl) formate
CID 57022006
[3-(2-hydroxyethoxy)cyclobutyl] formate
CID 170344966
3-ethoxy-N-methylcyclopentan-1-amine
CID 79642997
cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine
CID 58874408
1-ethoxy-3-methylsulfanylcyclopentane
CID 135369072
1-ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
(4-chlorocyclohexyl) formate
CID 21249018
(3-ethoxycyclopentyl) 2-methylbutanoate
CID 168840248

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycyclopentyl) formate?
The IUPAC name of (3-ethoxycyclopentyl) formate (CID 87823769) is (3-ethoxycyclopentyl) formate.
What is the SMILES notation for (3-ethoxycyclopentyl) formate?
The canonical SMILES for (3-ethoxycyclopentyl) formate is CCOC1CCC(OC=O)C1.
What is the InChIKey of (3-ethoxycyclopentyl) formate?
The InChIKey is UGHVNAVBFRCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-10-7-3-4-8(5-7)11-6-9/h6-8H,2-5H2,1H3.
What are the key properties of (3-ethoxycyclopentyl) formate?
(3-ethoxycyclopentyl) formate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycyclopentyl) formate is sourced from PubChem (CID 87823769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).