ethoxymethyl prop-1-en-2-yl carbonate

C7H12O4 — CID 22267004

IUPACethoxymethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCOCC
InChIInChI=1S/C7H12O4/c1-4-9-5-10-7(8)11-6(2)3/h2,4-5H2,1,3H3
InChIKeyNSWXAMKDYVFWBN-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.67
Rot. Bonds4

About ethoxymethyl prop-1-en-2-yl carbonate

ethoxymethyl prop-1-en-2-yl carbonate (PubChem CID 22267004) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethoxymethyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Nameethoxymethyl prop-1-en-2-yl carbonate
PubChem CID22267004
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameethoxymethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCOCC
InChIInChI=1S/C7H12O4/c1-4-9-5-10-7(8)11-6(2)3/h2,4-5H2,1,3H3
InChIKeyNSWXAMKDYVFWBN-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxymethyl prop-1-en-2-yl carbonate?
The IUPAC name of ethoxymethyl prop-1-en-2-yl carbonate (CID 22267004) is ethoxymethyl prop-1-en-2-yl carbonate.
What is the SMILES notation for ethoxymethyl prop-1-en-2-yl carbonate?
The canonical SMILES for ethoxymethyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OCOCC.
What is the InChIKey of ethoxymethyl prop-1-en-2-yl carbonate?
The InChIKey is NSWXAMKDYVFWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-9-5-10-7(8)11-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of ethoxymethyl prop-1-en-2-yl carbonate?
ethoxymethyl prop-1-en-2-yl carbonate has a molecular weight of 160.17 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 22267004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).