ethenyl undecyl carbonate

C14H26O3 — CID 91692931

IUPACethenyl undecyl carbonate
SMILESC=COC(=O)OCCCCCCCCCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h4H,2-3,5-13H2,1H3
InChIKeyRQYOLNDKEMRWIM-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.81
Rot. Bonds11

About ethenyl undecyl carbonate

ethenyl undecyl carbonate (PubChem CID 91692931) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethenyl undecyl carbonate.

Molecular Properties

Compound Nameethenyl undecyl carbonate
PubChem CID91692931
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethenyl undecyl carbonate
SMILESC=COC(=O)OCCCCCCCCCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h4H,2-3,5-13H2,1H3
InChIKeyRQYOLNDKEMRWIM-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
but-3-enyl pentadecyl carbonate
CID 91692457
2-ethenoxycarbonyloxyethyl-dimethyl-pentylazanium
CID 123168561
azane;dioctyl carbonate
CID 174626203
ethenyl acetate;octyl prop-2-enoate
CID 22497770
hexoxycarbonyl hexyl carbonate
CID 18974231
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethenyl acetate;octadecyl 2-methylprop-2-enoate
CID 159374874

Frequently Asked Questions

What is the IUPAC name of ethenyl undecyl carbonate?
The IUPAC name of ethenyl undecyl carbonate (CID 91692931) is ethenyl undecyl carbonate.
What is the SMILES notation for ethenyl undecyl carbonate?
The canonical SMILES for ethenyl undecyl carbonate is C=COC(=O)OCCCCCCCCCCC.
What is the InChIKey of ethenyl undecyl carbonate?
The InChIKey is RQYOLNDKEMRWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of ethenyl undecyl carbonate?
ethenyl undecyl carbonate has a molecular weight of 242.36 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl undecyl carbonate is sourced from PubChem (CID 91692931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).