ethyl 3-prop-1-enylundecan-2-yl carbonate

C17H32O3 — CID 88740378

IUPACethyl 3-prop-1-enylundecan-2-yl carbonate
SMILESCC=CC(CCCCCCCC)C(C)OC(=O)OCC
InChIInChI=1S/C17H32O3/c1-5-8-9-10-11-12-14-16(13-6-2)15(4)20-17(18)19-7-3/h6,13,15-16H,5,7-12,14H2,1-4H3
InChIKeyDVKYJLBIMISIAQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.49
Rot. Bonds11

About ethyl 3-prop-1-enylundecan-2-yl carbonate

ethyl 3-prop-1-enylundecan-2-yl carbonate (PubChem CID 88740378) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 3-prop-1-enylundecan-2-yl carbonate.

Molecular Properties

Compound Nameethyl 3-prop-1-enylundecan-2-yl carbonate
PubChem CID88740378
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Nameethyl 3-prop-1-enylundecan-2-yl carbonate
SMILESCC=CC(CCCCCCCC)C(C)OC(=O)OCC
InChIInChI=1S/C17H32O3/c1-5-8-9-10-11-12-14-16(13-6-2)15(4)20-17(18)19-7-3/h6,13,15-16H,5,7-12,14H2,1-4H3
InChIKeyDVKYJLBIMISIAQ-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.49
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-prop-1-enylundecan-2-yl carbonate?
The IUPAC name of ethyl 3-prop-1-enylundecan-2-yl carbonate (CID 88740378) is ethyl 3-prop-1-enylundecan-2-yl carbonate.
What is the SMILES notation for ethyl 3-prop-1-enylundecan-2-yl carbonate?
The canonical SMILES for ethyl 3-prop-1-enylundecan-2-yl carbonate is CC=CC(CCCCCCCC)C(C)OC(=O)OCC.
What is the InChIKey of ethyl 3-prop-1-enylundecan-2-yl carbonate?
The InChIKey is DVKYJLBIMISIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-5-8-9-10-11-12-14-16(13-6-2)15(4)20-17(18)19-7-3/h6,13,15-16H,5,7-12,14H2,1-4H3.
What are the key properties of ethyl 3-prop-1-enylundecan-2-yl carbonate?
ethyl 3-prop-1-enylundecan-2-yl carbonate has a molecular weight of 284.44 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-prop-1-enylundecan-2-yl carbonate is sourced from PubChem (CID 88740378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).