ethyl 2-(oxan-4-yl)ethenyl carbonate

C10H16O4 — CID 67785520

IUPACethyl 2-(oxan-4-yl)ethenyl carbonate
SMILESCCOC(=O)OC=CC1CCOCC1
InChIInChI=1S/C10H16O4/c1-2-13-10(11)14-8-5-9-3-6-12-7-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyVPKYUOHYBYUWAZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.10
Rot. Bonds3

About ethyl 2-(oxan-4-yl)ethenyl carbonate

ethyl 2-(oxan-4-yl)ethenyl carbonate (PubChem CID 67785520) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-(oxan-4-yl)ethenyl carbonate.

Molecular Properties

Compound Nameethyl 2-(oxan-4-yl)ethenyl carbonate
PubChem CID67785520
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(oxan-4-yl)ethenyl carbonate
SMILESCCOC(=O)OC=CC1CCOCC1
InChIInChI=1S/C10H16O4/c1-2-13-10(11)14-8-5-9-3-6-12-7-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyVPKYUOHYBYUWAZ-UHFFFAOYSA-N
XLogP2.10
TPSA44.76 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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-4-yl)ethenyl carbonate?
The IUPAC name of ethyl 2-(oxan-4-yl)ethenyl carbonate (CID 67785520) is ethyl 2-(oxan-4-yl)ethenyl carbonate.
What is the SMILES notation for ethyl 2-(oxan-4-yl)ethenyl carbonate?
The canonical SMILES for ethyl 2-(oxan-4-yl)ethenyl carbonate is CCOC(=O)OC=CC1CCOCC1.
What is the InChIKey of ethyl 2-(oxan-4-yl)ethenyl carbonate?
The InChIKey is VPKYUOHYBYUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-13-10(11)14-8-5-9-3-6-12-7-4-9/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of ethyl 2-(oxan-4-yl)ethenyl carbonate?
ethyl 2-(oxan-4-yl)ethenyl carbonate has a molecular weight of 200.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-4-yl)ethenyl carbonate is sourced from PubChem (CID 67785520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).