ethyl 2-ethylhexyl carbonate

C11H22O3 — CID 54194012

IUPACethyl 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)OCC
InChIInChI=1S/C11H22O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h10H,4-9H2,1-3H3
InChIKeyYSWQDPOQWBKMIX-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.38
Rot. Bonds7

About ethyl 2-ethylhexyl carbonate

ethyl 2-ethylhexyl carbonate (PubChem CID 54194012) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 2-ethylhexyl carbonate.

Molecular Properties

Compound Nameethyl 2-ethylhexyl carbonate
PubChem CID54194012
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 2-ethylhexyl carbonate
SMILESCCCCC(CC)COC(=O)OCC
InChIInChI=1S/C11H22O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h10H,4-9H2,1-3H3
InChIKeyYSWQDPOQWBKMIX-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-ethylhexyl pentadecyl carbonate
CID 91693131
1-(2-ethylhexoxycarbonyloxy)propan-2-yl 2-ethylhexyl carbonate
CID 59502797
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
bis(2-ethylhexyl) carbonate;2,2-dimethylbutane-1,1-diol
CID 160953382
[ethyl(dimethyl)silyl] 2-ethylhexyl carbonate
CID 155712729
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl 2-aminohexanoate
CID 61303871
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
2-ethylhexyl 2-methylbutanoate
CID 3023949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylhexyl carbonate?
The IUPAC name of ethyl 2-ethylhexyl carbonate (CID 54194012) is ethyl 2-ethylhexyl carbonate.
What is the SMILES notation for ethyl 2-ethylhexyl carbonate?
The canonical SMILES for ethyl 2-ethylhexyl carbonate is CCCCC(CC)COC(=O)OCC.
What is the InChIKey of ethyl 2-ethylhexyl carbonate?
The InChIKey is YSWQDPOQWBKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-ethylhexyl carbonate?
ethyl 2-ethylhexyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylhexyl carbonate is sourced from PubChem (CID 54194012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).