(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate

C10H14O6 — CID 122397635

IUPAC(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1(CC)COC(=O)OC1
InChIInChI=1S/C10H14O6/c1-3-5-13-9(12)16-10(4-2)6-14-8(11)15-7-10/h3H,1,4-7H2,2H3
InChIKeyISADDKVJNIMUKZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.64
Rot. Bonds4

About (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate

(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate (PubChem CID 122397635) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
PubChem CID122397635
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1(CC)COC(=O)OC1
InChIInChI=1S/C10H14O6/c1-3-5-13-9(12)16-10(4-2)6-14-8(11)15-7-10/h3H,1,4-7H2,2H3
InChIKeyISADDKVJNIMUKZ-UHFFFAOYSA-N
XLogP1.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl 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

prop-2-en-1-ol;prop-2-enyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;bis(1-tritiopropane)
CID 159790585
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
CID 166063146
5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
CID 54525893
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 88887961
bis(prop-2-enyl) carbonate;ethene
CID 87465968
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
CID 174573576
iodo prop-2-enyl carbonate
CID 87691823
azane;prop-2-enyl propanoate
CID 87729437
bis(prop-2-enyl) 1,4-dimethyl-2,5-dioxocyclohexane-1,4-dicarboxylate
CID 24894479
[(1E)-2-methylcycloocten-1-yl] prop-2-enyl carbonate
CID 45097845
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (E)-3-phenylprop-2-enoate
CID 25172089
chloromethane;prop-2-enyl propanoate
CID 174815872

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate?
The IUPAC name of (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate (CID 122397635) is (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate.
What is the SMILES notation for (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate?
The canonical SMILES for (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1(CC)COC(=O)OC1.
What is the InChIKey of (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate?
The InChIKey is ISADDKVJNIMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-5-13-9(12)16-10(4-2)6-14-8(11)15-7-10/h3H,1,4-7H2,2H3.
What are the key properties of (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate?
(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate has a molecular weight of 230.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate is sourced from PubChem (CID 122397635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).