ethyl 4-hydroxypentan-2-yl carbonate

C8H16O4 — CID 131742457

IUPACethyl 4-hydroxypentan-2-yl carbonate
SMILESCCOC(=O)OC(C)CC(C)O
InChIInChI=1S/C8H16O4/c1-4-11-8(10)12-7(3)5-6(2)9/h6-7,9H,4-5H2,1-3H3
InChIKeyWQQYAOIWVJRXKX-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.32
Rot. Bonds4

About ethyl 4-hydroxypentan-2-yl carbonate

ethyl 4-hydroxypentan-2-yl carbonate (PubChem CID 131742457) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethyl 4-hydroxypentan-2-yl carbonate.

Molecular Properties

Compound Nameethyl 4-hydroxypentan-2-yl carbonate
PubChem CID131742457
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethyl 4-hydroxypentan-2-yl carbonate
SMILESCCOC(=O)OC(C)CC(C)O
InChIInChI=1S/C8H16O4/c1-4-11-8(10)12-7(3)5-6(2)9/h6-7,9H,4-5H2,1-3H3
InChIKeyWQQYAOIWVJRXKX-UHFFFAOYSA-N
XLogP1.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-hydroxypentan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
ethyl (2R,4S)-4-hydroxy-2-methylpentanoate
CID 163005989
4-hydroxypentan-2-yl acetate;methane
CID 161366769
ethyl 1-fluoroethyl carbonate
CID 11491942
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
ethyl (3R)-3-[(2S,4R)-4-hydroxypentan-2-yl]oxypentanoate
CID 102437107
ethyl (2S,4R)-2-fluoro-4-hydroxypentanoate
CID 102183126
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
ethyl (2R,4S)-2-fluoro-4-hydroxypentanoate
CID 102183129
4,6-dihydroxyheptan-2-yl acetate
CID 118653103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxypentan-2-yl carbonate?
The IUPAC name of ethyl 4-hydroxypentan-2-yl carbonate (CID 131742457) is ethyl 4-hydroxypentan-2-yl carbonate.
What is the SMILES notation for ethyl 4-hydroxypentan-2-yl carbonate?
The canonical SMILES for ethyl 4-hydroxypentan-2-yl carbonate is CCOC(=O)OC(C)CC(C)O.
What is the InChIKey of ethyl 4-hydroxypentan-2-yl carbonate?
The InChIKey is WQQYAOIWVJRXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-11-8(10)12-7(3)5-6(2)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 4-hydroxypentan-2-yl carbonate?
ethyl 4-hydroxypentan-2-yl carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxypentan-2-yl carbonate is sourced from PubChem (CID 131742457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).