benzyl 2-ethenoxyethyl carbonate

C12H14O4 — CID 19813780

IUPACbenzyl 2-ethenoxyethyl carbonate
SMILESC=COCCOC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O4/c1-2-14-8-9-15-12(13)16-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKeyLQDTYFPWIDWMIN-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.50
Rot. Bonds6

About benzyl 2-ethenoxyethyl carbonate

benzyl 2-ethenoxyethyl carbonate (PubChem CID 19813780) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is benzyl 2-ethenoxyethyl carbonate.

Molecular Properties

Compound Namebenzyl 2-ethenoxyethyl carbonate
PubChem CID19813780
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namebenzyl 2-ethenoxyethyl carbonate
SMILESC=COCCOC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O4/c1-2-14-8-9-15-12(13)16-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKeyLQDTYFPWIDWMIN-UHFFFAOYSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.50
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'}

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Related Compounds

benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
ethenoxymethylbenzene
CID 11116115
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
benzyl 3-hydroxybutyl carbonate
CID 15121666
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethenoxyethyl carbonate?
The IUPAC name of benzyl 2-ethenoxyethyl carbonate (CID 19813780) is benzyl 2-ethenoxyethyl carbonate.
What is the SMILES notation for benzyl 2-ethenoxyethyl carbonate?
The canonical SMILES for benzyl 2-ethenoxyethyl carbonate is C=COCCOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-ethenoxyethyl carbonate?
The InChIKey is LQDTYFPWIDWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-14-8-9-15-12(13)16-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2.
What are the key properties of benzyl 2-ethenoxyethyl carbonate?
benzyl 2-ethenoxyethyl carbonate has a molecular weight of 222.24 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-ethenoxyethyl carbonate is sourced from PubChem (CID 19813780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).