[(Z)-5-ethylnon-2-enyl] methyl carbonate

C13H24O3 — CID 101051912

IUPAC[(Z)-5-ethylnon-2-enyl] methyl carbonate
SMILESCCCCC(CC)C/C=C\COC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-6-9-12(5-2)10-7-8-11-16-13(14)15-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
InChIKeyXELPRXGFHMSRCI-FPLPWBNLSA-N
MW228.33 g/mol
LogP3.93
Rot. Bonds8

About [(Z)-5-ethylnon-2-enyl] methyl carbonate

[(Z)-5-ethylnon-2-enyl] methyl carbonate (PubChem CID 101051912) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is [(Z)-5-ethylnon-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-5-ethylnon-2-enyl] methyl carbonate
PubChem CID101051912
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name[(Z)-5-ethylnon-2-enyl] methyl carbonate
SMILESCCCCC(CC)C/C=C\COC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-6-9-12(5-2)10-7-8-11-16-13(14)15-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
InChIKeyXELPRXGFHMSRCI-FPLPWBNLSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.93
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

8-ethyldodec-5-ene
CID 173018114
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
1-O-[(E)-dodec-2-enyl] 4-O-(2-ethylhexyl) (E)-but-2-enedioate
CID 91701294
6-ethyl-N-(2-methoxyethyl)dec-3-en-1-amine
CID 79599040
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(E)-4-hydroxy-4-pentylnon-2-enyl] methyl carbonate
CID 101357387
methyl 4-ethyl-2-oxooctanoate
CID 87175100
ethyl 2-ethylhexyl carbonate
CID 54194012
2-(3-ethylheptylidene)butanedioic acid
CID 54415150
2-ethylhexyl 3-ethyl-13-oxotetradec-5-enoate
CID 123638346
methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate
CID 142739208

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-ethylnon-2-enyl] methyl carbonate?
The IUPAC name of [(Z)-5-ethylnon-2-enyl] methyl carbonate (CID 101051912) is [(Z)-5-ethylnon-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z)-5-ethylnon-2-enyl] methyl carbonate?
The canonical SMILES for [(Z)-5-ethylnon-2-enyl] methyl carbonate is CCCCC(CC)C/C=C\COC(=O)OC.
What is the InChIKey of [(Z)-5-ethylnon-2-enyl] methyl carbonate?
The InChIKey is XELPRXGFHMSRCI-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-9-12(5-2)10-7-8-11-16-13(14)15-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-.
What are the key properties of [(Z)-5-ethylnon-2-enyl] methyl carbonate?
[(Z)-5-ethylnon-2-enyl] methyl carbonate has a molecular weight of 228.33 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-ethylnon-2-enyl] methyl carbonate is sourced from PubChem (CID 101051912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).