[acetyloxy(cyclopentyl)methyl] acetate

C10H16O4 — CID 12734264

IUPAC[acetyloxy(cyclopentyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)C1CCCC1
InChIInChI=1S/C10H16O4/c1-7(11)13-10(14-8(2)12)9-5-3-4-6-9/h9-10H,3-6H2,1-2H3
InChIKeyMEXSYQXIXSBRQR-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.63
Rot. Bonds3

About [acetyloxy(cyclopentyl)methyl] acetate

[acetyloxy(cyclopentyl)methyl] acetate (PubChem CID 12734264) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [acetyloxy(cyclopentyl)methyl] acetate.

Molecular Properties

Compound Name[acetyloxy(cyclopentyl)methyl] acetate
PubChem CID12734264
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[acetyloxy(cyclopentyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)C1CCCC1
InChIInChI=1S/C10H16O4/c1-7(11)13-10(14-8(2)12)9-5-3-4-6-9/h9-10H,3-6H2,1-2H3
InChIKeyMEXSYQXIXSBRQR-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Cyclohexylmethane-1,1-diol diacetate
CID 537139
[Cyclopentyl(methoxy)methyl] 2-iodo-2-methylbutanoate
CID 129168500
[(3,3-Difluorocyclopentyl)-ethoxycarbonyloxymethyl] acetate
CID 70142593
(6,6-Dimethoxy-4-methylhexyl) acetate
CID 13945692
8-Triacetoxy-3-methyl-octane
CID 129729662
[5-(1,3-Dioxan-2-yl)-3-methylpentyl] 2-methylpropanoate
CID 176434305
[Cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate
CID 20767517
1-Formyloxyethyl cyclopentanecarboxylate
CID 53825107
Cyclopentylmethyl ethyl carbonate
CID 54161317
(1-Acetyloxy-2-methylcyclopentyl) acetate
CID 54271459
[Cyclopentyl(methoxy)methyl] 2-methylbutanoate
CID 57629040
1-Ethoxyethoxymethylcyclopentane
CID 57859194

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(cyclopentyl)methyl] acetate?
The IUPAC name of [acetyloxy(cyclopentyl)methyl] acetate (CID 12734264) is [acetyloxy(cyclopentyl)methyl] acetate.
What is the SMILES notation for [acetyloxy(cyclopentyl)methyl] acetate?
The canonical SMILES for [acetyloxy(cyclopentyl)methyl] acetate is CC(=O)OC(OC(C)=O)C1CCCC1.
What is the InChIKey of [acetyloxy(cyclopentyl)methyl] acetate?
The InChIKey is MEXSYQXIXSBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(11)13-10(14-8(2)12)9-5-3-4-6-9/h9-10H,3-6H2,1-2H3.
What are the key properties of [acetyloxy(cyclopentyl)methyl] acetate?
[acetyloxy(cyclopentyl)methyl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(cyclopentyl)methyl] acetate is sourced from PubChem (CID 12734264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).