(Z)-18,18-dibutoxyoctadec-3-en-1-ol

C26H52O3 — CID 163205378

IUPAC(Z)-18,18-dibutoxyoctadec-3-en-1-ol
SMILESCCCCOC(CCCCCCCCCCCCC/C=C\CCO)OCCCC
InChIInChI=1S/C26H52O3/c1-3-5-24-28-26(29-25-6-4-2)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-27/h17,19,26-27H,3-16,18,20-25H2,1-2H3/b19-17-
InChIKeyVYGRJNAOJFJHLH-ZPHPHTNESA-N
MW412.70 g/mol
LogP7.96
Rot. Bonds24

About (Z)-18,18-dibutoxyoctadec-3-en-1-ol

(Z)-18,18-dibutoxyoctadec-3-en-1-ol (PubChem CID 163205378) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is (Z)-18,18-dibutoxyoctadec-3-en-1-ol.

Molecular Properties

Compound Name(Z)-18,18-dibutoxyoctadec-3-en-1-ol
PubChem CID163205378
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Name(Z)-18,18-dibutoxyoctadec-3-en-1-ol
SMILESCCCCOC(CCCCCCCCCCCCC/C=C\CCO)OCCCC
InChIInChI=1S/C26H52O3/c1-3-5-24-28-26(29-25-6-4-2)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-27/h17,19,26-27H,3-16,18,20-25H2,1-2H3/b19-17-
InChIKeyVYGRJNAOJFJHLH-ZPHPHTNESA-N
XLogP7.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 57.96
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)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(Z)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(3Z)-14,14-dibutoxytetradeca-1,3-diene
CID 163205845
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869
(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
(Z)-1-bromo-12,12-di(nonoxy)dodec-3-ene
CID 163205524

Frequently Asked Questions

What is the IUPAC name of (Z)-18,18-dibutoxyoctadec-3-en-1-ol?
The IUPAC name of (Z)-18,18-dibutoxyoctadec-3-en-1-ol (CID 163205378) is (Z)-18,18-dibutoxyoctadec-3-en-1-ol.
What is the SMILES notation for (Z)-18,18-dibutoxyoctadec-3-en-1-ol?
The canonical SMILES for (Z)-18,18-dibutoxyoctadec-3-en-1-ol is CCCCOC(CCCCCCCCCCCCC/C=C\CCO)OCCCC.
What is the InChIKey of (Z)-18,18-dibutoxyoctadec-3-en-1-ol?
The InChIKey is VYGRJNAOJFJHLH-ZPHPHTNESA-N. The full InChI is InChI=1S/C26H52O3/c1-3-5-24-28-26(29-25-6-4-2)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-27/h17,19,26-27H,3-16,18,20-25H2,1-2H3/b19-17-.
What are the key properties of (Z)-18,18-dibutoxyoctadec-3-en-1-ol?
(Z)-18,18-dibutoxyoctadec-3-en-1-ol has a molecular weight of 412.70 g/mol, XLogP of 7.96, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18,18-dibutoxyoctadec-3-en-1-ol is sourced from PubChem (CID 163205378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).