1-[(2S)-oxolan-2-yl]ethyl formate

C7H12O3 — CID 174825731

IUPAC1-[(2S)-oxolan-2-yl]ethyl formate
SMILESCC(OC=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12O3/c1-6(10-5-8)7-3-2-4-9-7/h5-7H,2-4H2,1H3/t6?,7-/m0/s1
InChIKeyAZKIZQPMZUWBAP-MLWJPKLSSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About 1-[(2S)-oxolan-2-yl]ethyl formate

1-[(2S)-oxolan-2-yl]ethyl formate (PubChem CID 174825731) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[(2S)-oxolan-2-yl]ethyl formate.

Molecular Properties

Compound Name1-[(2S)-oxolan-2-yl]ethyl formate
PubChem CID174825731
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-[(2S)-oxolan-2-yl]ethyl formate
SMILESCC(OC=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12O3/c1-6(10-5-8)7-3-2-4-9-7/h5-7H,2-4H2,1H3/t6?,7-/m0/s1
InChIKeyAZKIZQPMZUWBAP-MLWJPKLSSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
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

2-(1-hydroperoxyethyl)oxolane
CID 59270511
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
(E)-4-oxo-4-[1-(oxolan-2-yl)ethoxy]but-2-enoic acid
CID 18375947
1-(oxolan-2-yl)ethanol;propanal
CID 174771711
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
2-(oxolan-2-yl)butanal
CID 84716261
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
2-(3,3-dimethylbutan-2-yl)oxolane
CID 58394782
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
[2-methyl-1-(oxan-3-yl)propyl] formate
CID 175408553
methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
CID 10943229

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxolan-2-yl]ethyl formate?
The IUPAC name of 1-[(2S)-oxolan-2-yl]ethyl formate (CID 174825731) is 1-[(2S)-oxolan-2-yl]ethyl formate.
What is the SMILES notation for 1-[(2S)-oxolan-2-yl]ethyl formate?
The canonical SMILES for 1-[(2S)-oxolan-2-yl]ethyl formate is CC(OC=O)[C@@H]1CCCO1.
What is the InChIKey of 1-[(2S)-oxolan-2-yl]ethyl formate?
The InChIKey is AZKIZQPMZUWBAP-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(10-5-8)7-3-2-4-9-7/h5-7H,2-4H2,1H3/t6?,7-/m0/s1.
What are the key properties of 1-[(2S)-oxolan-2-yl]ethyl formate?
1-[(2S)-oxolan-2-yl]ethyl formate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxolan-2-yl]ethyl formate is sourced from PubChem (CID 174825731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).