carbonic acid;ethyl 2-ethylhexanoate

C11H22O5 — CID 175024500

IUPACcarbonic acid;ethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC.O=C(O)O
InChIInChI=1S/C10H20O2.CH2O3/c1-4-7-8-9(5-2)10(11)12-6-3;2-1(3)4/h9H,4-8H2,1-3H3;(H2,2,3,4)
InChIKeyCWJCWOSQMQTMIP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.99
Rot. Bonds6

About carbonic acid;ethyl 2-ethylhexanoate

carbonic acid;ethyl 2-ethylhexanoate (PubChem CID 175024500) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is carbonic acid;ethyl 2-ethylhexanoate.

Molecular Properties

Compound Namecarbonic acid;ethyl 2-ethylhexanoate
PubChem CID175024500
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namecarbonic acid;ethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC.O=C(O)O
InChIInChI=1S/C10H20O2.CH2O3/c1-4-7-8-9(5-2)10(11)12-6-3;2-1(3)4/h9H,4-8H2,1-3H3;(H2,2,3,4)
InChIKeyCWJCWOSQMQTMIP-UHFFFAOYSA-N
XLogP2.99
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyldocosanoate
CID 175304380
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
trimethylplumbyl 2-ethylhexanoate
CID 16683317
2,3-bis(2-ethylhexanoyloxy)butanedioic acid
CID 19746940
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
alumane;2-methylpropyl 2-ethylhexanoate
CID 174410098

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethyl 2-ethylhexanoate?
The IUPAC name of carbonic acid;ethyl 2-ethylhexanoate (CID 175024500) is carbonic acid;ethyl 2-ethylhexanoate.
What is the SMILES notation for carbonic acid;ethyl 2-ethylhexanoate?
The canonical SMILES for carbonic acid;ethyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCC.O=C(O)O.
What is the InChIKey of carbonic acid;ethyl 2-ethylhexanoate?
The InChIKey is CWJCWOSQMQTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH2O3/c1-4-7-8-9(5-2)10(11)12-6-3;2-1(3)4/h9H,4-8H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;ethyl 2-ethylhexanoate?
carbonic acid;ethyl 2-ethylhexanoate has a molecular weight of 234.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethyl 2-ethylhexanoate is sourced from PubChem (CID 175024500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).