2-ethylhexyl prop-2-enyl carbonate

C12H22O3 — CID 91693070

IUPAC2-ethylhexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C12H22O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyRAEACIVHTRRGPZ-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.54
Rot. Bonds8

About 2-ethylhexyl prop-2-enyl carbonate

2-ethylhexyl prop-2-enyl carbonate (PubChem CID 91693070) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethylhexyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-ethylhexyl prop-2-enyl carbonate
PubChem CID91693070
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethylhexyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C12H22O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyRAEACIVHTRRGPZ-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-ethylhexyl carbonate
CID 54194012
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl pentadecyl carbonate
CID 91693131
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
2-ethylhexyl N-ethenylcarbamate
CID 21260803
2-ethylhexyl but-3-enoate;prop-2-enoic acid
CID 175944263
3-(prop-2-enoxymethyl)heptane
CID 3530837
bis(2-ethylhexyl) carbonate;2,2-dimethylbutane-1,1-diol
CID 160953382
[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
CID 155712729
2-ethylhexyl 4-amino-4-oxobut-2-enoate
CID 54105365

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl prop-2-enyl carbonate?
The IUPAC name of 2-ethylhexyl prop-2-enyl carbonate (CID 91693070) is 2-ethylhexyl prop-2-enyl carbonate.
What is the SMILES notation for 2-ethylhexyl prop-2-enyl carbonate?
The canonical SMILES for 2-ethylhexyl prop-2-enyl carbonate is C=CCOC(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl prop-2-enyl carbonate?
The InChIKey is RAEACIVHTRRGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 2-ethylhexyl prop-2-enyl carbonate?
2-ethylhexyl prop-2-enyl carbonate has a molecular weight of 214.30 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl prop-2-enyl carbonate is sourced from PubChem (CID 91693070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).