methyl undec-1-en-3-yl carbonate

C13H24O3 — CID 86041216

IUPACmethyl undec-1-en-3-yl carbonate
SMILESC=CC(CCCCCCCC)OC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-9-10-11-12(5-2)16-13(14)15-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyLLUAGYSSQLGLSL-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.07
Rot. Bonds9

About methyl undec-1-en-3-yl carbonate

methyl undec-1-en-3-yl carbonate (PubChem CID 86041216) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is methyl undec-1-en-3-yl carbonate.

Molecular Properties

Compound Namemethyl undec-1-en-3-yl carbonate
PubChem CID86041216
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namemethyl undec-1-en-3-yl carbonate
SMILESC=CC(CCCCCCCC)OC(=O)OC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-9-10-11-12(5-2)16-13(14)15-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyLLUAGYSSQLGLSL-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Nonen-3-ol, 3-acetate
CID 169364
1-Decen-3-ol, 3-acetate
CID 92618
Undec-1-en-3-yl acetate
CID 3023472
[(3R)-non-1-en-3-yl] acetate
CID 92281382
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
[(3S)-dodec-1-en-3-yl] 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 134889383
Hept-1-en-3-yl methyl carbonate
CID 14170338
Tert-butyl oct-1-en-3-yl carbonate
CID 87989403
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
Methyl non-1-en-3-yl carbonate
CID 102291111
Dodec-1-en-3-yl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 101251049
1-Hexylallyl formate
CID 3020028

Frequently Asked Questions

What is the IUPAC name of methyl undec-1-en-3-yl carbonate?
The IUPAC name of methyl undec-1-en-3-yl carbonate (CID 86041216) is methyl undec-1-en-3-yl carbonate.
What is the SMILES notation for methyl undec-1-en-3-yl carbonate?
The canonical SMILES for methyl undec-1-en-3-yl carbonate is C=CC(CCCCCCCC)OC(=O)OC.
What is the InChIKey of methyl undec-1-en-3-yl carbonate?
The InChIKey is LLUAGYSSQLGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-7-8-9-10-11-12(5-2)16-13(14)15-3/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of methyl undec-1-en-3-yl carbonate?
methyl undec-1-en-3-yl carbonate has a molecular weight of 228.33 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl undec-1-en-3-yl carbonate is sourced from PubChem (CID 86041216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).