(3-ethoxycyclopentyl) 2-methylbutanoate

C12H22O3 — CID 168840248

IUPAC(3-ethoxycyclopentyl) 2-methylbutanoate
SMILESCCOC1CCC(OC(=O)C(C)CC)C1
InChIInChI=1S/C12H22O3/c1-4-9(3)12(13)15-11-7-6-10(8-11)14-5-2/h9-11H,4-8H2,1-3H3
InChIKeyQZDUYDXBLSRSOA-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About (3-ethoxycyclopentyl) 2-methylbutanoate

(3-ethoxycyclopentyl) 2-methylbutanoate (PubChem CID 168840248) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3-ethoxycyclopentyl) 2-methylbutanoate.

Molecular Properties

Compound Name(3-ethoxycyclopentyl) 2-methylbutanoate
PubChem CID168840248
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3-ethoxycyclopentyl) 2-methylbutanoate
SMILESCCOC1CCC(OC(=O)C(C)CC)C1
InChIInChI=1S/C12H22O3/c1-4-9(3)12(13)15-11-7-6-10(8-11)14-5-2/h9-11H,4-8H2,1-3H3
InChIKeyQZDUYDXBLSRSOA-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
(4-propanoyloxycyclohexyl) 2-methylbutanoate
CID 91531963
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-2-methylbutanoate
CID 131637782
piperidin-4-yl 2-methylbutanoate
CID 18987401
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(1,1-dioxothian-4-yl) 2-methylbutanoate
CID 166570819
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate
CID 20826514
(5-hydroxyoxolan-3-yl) 2-methylbutanoate
CID 59372752
[3-(2-methylheptanoyloxy)cyclohexyl] 2-methylheptanoate
CID 74220966
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycyclopentyl) 2-methylbutanoate?
The IUPAC name of (3-ethoxycyclopentyl) 2-methylbutanoate (CID 168840248) is (3-ethoxycyclopentyl) 2-methylbutanoate.
What is the SMILES notation for (3-ethoxycyclopentyl) 2-methylbutanoate?
The canonical SMILES for (3-ethoxycyclopentyl) 2-methylbutanoate is CCOC1CCC(OC(=O)C(C)CC)C1.
What is the InChIKey of (3-ethoxycyclopentyl) 2-methylbutanoate?
The InChIKey is QZDUYDXBLSRSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-9(3)12(13)15-11-7-6-10(8-11)14-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of (3-ethoxycyclopentyl) 2-methylbutanoate?
(3-ethoxycyclopentyl) 2-methylbutanoate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycyclopentyl) 2-methylbutanoate is sourced from PubChem (CID 168840248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).