Carbonic acid, 2-ethylhexyl propyl ester

C12H24O3 — CID 91695383

IUPAC2-ethylhexyl propyl carbonate
SMILESCCCCC(CC)COC(=O)OCCC
InChIInChI=1S/C12H24O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h11H,4-10H2,1-3H3
InChIKeyDYLAGBPDKPQGPV-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.50
Rot. Bonds10

About Carbonic acid, 2-ethylhexyl propyl ester

Carbonic acid, 2-ethylhexyl propyl ester (PubChem CID 91695383) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethylhexyl propyl carbonate.

Molecular Properties

Compound NameCarbonic acid, 2-ethylhexyl propyl ester
PubChem CID91695383
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethylhexyl propyl carbonate
SMILESCCCCC(CC)COC(=O)OCCC
InChIInChI=1S/C12H24O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h11H,4-10H2,1-3H3
InChIKeyDYLAGBPDKPQGPV-UHFFFAOYSA-N
XLogP4.50
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O,O-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
CID 61931
Diethylhexyl Carbonate
CID 85781
Peroxydicarbonic acid, C,C'-bis(2-ethylhexyl) ester
CID 85963
Bis-Propylheptyl Carbonate
CID 87573553
Tert-Amyl peroxy 2-ethylhexyl carbonate
CID 116706
3-(Dimethoxymethyl)heptane
CID 85702
3,3'-(Methylenebis(oxymethylene))bisheptane
CID 89612
2-Ethylhexyl formate
CID 95568
1,1-Diethoxy-2-ethylhexane
CID 12504289
1-Cyclohexylethyl ethyl carbonate
CID 3023090
Carbonic acid, ethyl cyclohexylmethyl ester
CID 23388344
Ethyl 2-ethylbutyl carbonate
CID 23449322

Frequently Asked Questions

What is the IUPAC name of Carbonic acid, 2-ethylhexyl propyl ester?
The IUPAC name of Carbonic acid, 2-ethylhexyl propyl ester (CID 91695383) is 2-ethylhexyl propyl carbonate.
What is the SMILES notation for Carbonic acid, 2-ethylhexyl propyl ester?
The canonical SMILES for Carbonic acid, 2-ethylhexyl propyl ester is CCCCC(CC)COC(=O)OCCC.
What is the InChIKey of Carbonic acid, 2-ethylhexyl propyl ester?
The InChIKey is DYLAGBPDKPQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h11H,4-10H2,1-3H3.
What are the key properties of Carbonic acid, 2-ethylhexyl propyl ester?
Carbonic acid, 2-ethylhexyl propyl ester has a molecular weight of 216.32 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Carbonic acid, 2-ethylhexyl propyl ester is sourced from PubChem (CID 91695383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).