(E)-17,17-dimethoxyheptadec-3-en-1-ol

C19H38O3 — CID 163205461

IUPAC(E)-17,17-dimethoxyheptadec-3-en-1-ol
SMILESCOC(CCCCCCCCCCCC/C=C/CCO)OC
InChIInChI=1S/C19H38O3/c1-21-19(22-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h12,14,19-20H,3-11,13,15-18H2,1-2H3/b14-12+
InChIKeyMXKWIOZGYIMMKO-WYMLVPIESA-N
MW314.51 g/mol
LogP5.23
Rot. Bonds17

About (E)-17,17-dimethoxyheptadec-3-en-1-ol

(E)-17,17-dimethoxyheptadec-3-en-1-ol (PubChem CID 163205461) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is (E)-17,17-dimethoxyheptadec-3-en-1-ol.

Molecular Properties

Compound Name(E)-17,17-dimethoxyheptadec-3-en-1-ol
PubChem CID163205461
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name(E)-17,17-dimethoxyheptadec-3-en-1-ol
SMILESCOC(CCCCCCCCCCCC/C=C/CCO)OC
InChIInChI=1S/C19H38O3/c1-21-19(22-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h12,14,19-20H,3-11,13,15-18H2,1-2H3/b14-12+
InChIKeyMXKWIOZGYIMMKO-WYMLVPIESA-N
XLogP5.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.23
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)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
12,12-dimethoxydodecan-1-ol
CID 71412944
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863

Frequently Asked Questions

What is the IUPAC name of (E)-17,17-dimethoxyheptadec-3-en-1-ol?
The IUPAC name of (E)-17,17-dimethoxyheptadec-3-en-1-ol (CID 163205461) is (E)-17,17-dimethoxyheptadec-3-en-1-ol.
What is the SMILES notation for (E)-17,17-dimethoxyheptadec-3-en-1-ol?
The canonical SMILES for (E)-17,17-dimethoxyheptadec-3-en-1-ol is COC(CCCCCCCCCCCC/C=C/CCO)OC.
What is the InChIKey of (E)-17,17-dimethoxyheptadec-3-en-1-ol?
The InChIKey is MXKWIOZGYIMMKO-WYMLVPIESA-N. The full InChI is InChI=1S/C19H38O3/c1-21-19(22-2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20/h12,14,19-20H,3-11,13,15-18H2,1-2H3/b14-12+.
What are the key properties of (E)-17,17-dimethoxyheptadec-3-en-1-ol?
(E)-17,17-dimethoxyheptadec-3-en-1-ol has a molecular weight of 314.51 g/mol, XLogP of 5.23, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-17,17-dimethoxyheptadec-3-en-1-ol is sourced from PubChem (CID 163205461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).