(E)-18,18-dipropoxyoctadec-3-en-1-ol

C24H48O3 — CID 163205632

IUPAC(E)-18,18-dipropoxyoctadec-3-en-1-ol
SMILESCCCOC(CCCCCCCCCCCCC/C=C/CCO)OCCC
InChIInChI=1S/C24H48O3/c1-3-22-26-24(27-23-4-2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25/h15,17,24-25H,3-14,16,18-23H2,1-2H3/b17-15+
InChIKeyBDCNSSSCYOXEQL-BMRADRMJSA-N
MW384.65 g/mol
LogP7.18
Rot. Bonds22

About (E)-18,18-dipropoxyoctadec-3-en-1-ol

(E)-18,18-dipropoxyoctadec-3-en-1-ol (PubChem CID 163205632) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is (E)-18,18-dipropoxyoctadec-3-en-1-ol.

Molecular Properties

Compound Name(E)-18,18-dipropoxyoctadec-3-en-1-ol
PubChem CID163205632
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name(E)-18,18-dipropoxyoctadec-3-en-1-ol
SMILESCCCOC(CCCCCCCCCCCCC/C=C/CCO)OCCC
InChIInChI=1S/C24H48O3/c1-3-22-26-24(27-23-4-2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25/h15,17,24-25H,3-14,16,18-23H2,1-2H3/b17-15+
InChIKeyBDCNSSSCYOXEQL-BMRADRMJSA-N
XLogP7.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.18
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

(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)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
1,9,9-tripropoxynon-2-ene
CID 54274162
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
1-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
1-methoxy-1-(1-methoxy-10,10-dipropoxydec-2-enoxy)-10,10-dipropoxydec-2-ene
CID 162350636
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869

Frequently Asked Questions

What is the IUPAC name of (E)-18,18-dipropoxyoctadec-3-en-1-ol?
The IUPAC name of (E)-18,18-dipropoxyoctadec-3-en-1-ol (CID 163205632) is (E)-18,18-dipropoxyoctadec-3-en-1-ol.
What is the SMILES notation for (E)-18,18-dipropoxyoctadec-3-en-1-ol?
The canonical SMILES for (E)-18,18-dipropoxyoctadec-3-en-1-ol is CCCOC(CCCCCCCCCCCCC/C=C/CCO)OCCC.
What is the InChIKey of (E)-18,18-dipropoxyoctadec-3-en-1-ol?
The InChIKey is BDCNSSSCYOXEQL-BMRADRMJSA-N. The full InChI is InChI=1S/C24H48O3/c1-3-22-26-24(27-23-4-2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25/h15,17,24-25H,3-14,16,18-23H2,1-2H3/b17-15+.
What are the key properties of (E)-18,18-dipropoxyoctadec-3-en-1-ol?
(E)-18,18-dipropoxyoctadec-3-en-1-ol has a molecular weight of 384.65 g/mol, XLogP of 7.18, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-18,18-dipropoxyoctadec-3-en-1-ol is sourced from PubChem (CID 163205632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).