(E)-16,16-diethoxyhexadec-3-en-1-ol

C20H40O3 — CID 163205889

IUPAC(E)-16,16-diethoxyhexadec-3-en-1-ol
SMILESCCOC(CCCCCCCCCCC/C=C/CCO)OCC
InChIInChI=1S/C20H40O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h13,15,20-21H,3-12,14,16-19H2,1-2H3/b15-13+
InChIKeyRQCKGIUKLJSGSE-FYWRMAATSA-N
MW328.54 g/mol
LogP5.62
Rot. Bonds18

About (E)-16,16-diethoxyhexadec-3-en-1-ol

(E)-16,16-diethoxyhexadec-3-en-1-ol (PubChem CID 163205889) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (E)-16,16-diethoxyhexadec-3-en-1-ol.

Molecular Properties

Compound Name(E)-16,16-diethoxyhexadec-3-en-1-ol
PubChem CID163205889
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(E)-16,16-diethoxyhexadec-3-en-1-ol
SMILESCCOC(CCCCCCCCCCC/C=C/CCO)OCC
InChIInChI=1S/C20H40O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h13,15,20-21H,3-12,14,16-19H2,1-2H3/b15-13+
InChIKeyRQCKGIUKLJSGSE-FYWRMAATSA-N
XLogP5.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
16,16-diethoxyhexadec-3-ene
CID 91492223
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378
(Z)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(Z)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580
2-[(Z)-1-ethoxyoctadec-9-enoxy]acetic acid
CID 175306189
12,12-diethoxydodec-1-ene
CID 146004846

Frequently Asked Questions

What is the IUPAC name of (E)-16,16-diethoxyhexadec-3-en-1-ol?
The IUPAC name of (E)-16,16-diethoxyhexadec-3-en-1-ol (CID 163205889) is (E)-16,16-diethoxyhexadec-3-en-1-ol.
What is the SMILES notation for (E)-16,16-diethoxyhexadec-3-en-1-ol?
The canonical SMILES for (E)-16,16-diethoxyhexadec-3-en-1-ol is CCOC(CCCCCCCCCCC/C=C/CCO)OCC.
What is the InChIKey of (E)-16,16-diethoxyhexadec-3-en-1-ol?
The InChIKey is RQCKGIUKLJSGSE-FYWRMAATSA-N. The full InChI is InChI=1S/C20H40O3/c1-3-22-20(23-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21/h13,15,20-21H,3-12,14,16-19H2,1-2H3/b15-13+.
What are the key properties of (E)-16,16-diethoxyhexadec-3-en-1-ol?
(E)-16,16-diethoxyhexadec-3-en-1-ol has a molecular weight of 328.54 g/mol, XLogP of 5.62, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-16,16-diethoxyhexadec-3-en-1-ol is sourced from PubChem (CID 163205889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).