4-oxopentyl 2-(oxolan-2-yl)acetate

C11H18O4 — CID 78875192

IUPAC4-oxopentyl 2-(oxolan-2-yl)acetate
SMILESCC(=O)CCCOC(=O)CC1CCCO1
InChIInChI=1S/C11H18O4/c1-9(12)4-2-7-15-11(13)8-10-5-3-6-14-10/h10H,2-8H2,1H3
InChIKeyFDSLDJIHNNJKIG-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.47
Rot. Bonds6

About 4-oxopentyl 2-(oxolan-2-yl)acetate

4-oxopentyl 2-(oxolan-2-yl)acetate (PubChem CID 78875192) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-oxopentyl 2-(oxolan-2-yl)acetate.

Molecular Properties

Compound Name4-oxopentyl 2-(oxolan-2-yl)acetate
PubChem CID78875192
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-oxopentyl 2-(oxolan-2-yl)acetate
SMILESCC(=O)CCCOC(=O)CC1CCCO1
InChIInChI=1S/C11H18O4/c1-9(12)4-2-7-15-11(13)8-10-5-3-6-14-10/h10H,2-8H2,1H3
InChIKeyFDSLDJIHNNJKIG-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-(oxolan-2-yl)acetate
CID 78876080
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335
4-methoxy-1-(oxolan-2-yl)butan-2-one
CID 62620585
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172

Frequently Asked Questions

What is the IUPAC name of 4-oxopentyl 2-(oxolan-2-yl)acetate?
The IUPAC name of 4-oxopentyl 2-(oxolan-2-yl)acetate (CID 78875192) is 4-oxopentyl 2-(oxolan-2-yl)acetate.
What is the SMILES notation for 4-oxopentyl 2-(oxolan-2-yl)acetate?
The canonical SMILES for 4-oxopentyl 2-(oxolan-2-yl)acetate is CC(=O)CCCOC(=O)CC1CCCO1.
What is the InChIKey of 4-oxopentyl 2-(oxolan-2-yl)acetate?
The InChIKey is FDSLDJIHNNJKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(12)4-2-7-15-11(13)8-10-5-3-6-14-10/h10H,2-8H2,1H3.
What are the key properties of 4-oxopentyl 2-(oxolan-2-yl)acetate?
4-oxopentyl 2-(oxolan-2-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentyl 2-(oxolan-2-yl)acetate is sourced from PubChem (CID 78875192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).