(Z)-13,13-dihexoxytridec-3-en-1-ol

C25H50O3 — CID 163205677

IUPAC(Z)-13,13-dihexoxytridec-3-en-1-ol
SMILESCCCCCCOC(CCCCCCCC/C=C\CCO)OCCCCCC
InChIInChI=1S/C25H50O3/c1-3-5-7-19-23-27-25(28-24-20-8-6-4-2)21-17-15-13-11-9-10-12-14-16-18-22-26/h14,16,25-26H,3-13,15,17-24H2,1-2H3/b16-14-
InChIKeyPNQVMRFGSRTONP-PEZBUJJGSA-N
MW398.67 g/mol
LogP7.57
Rot. Bonds23

About (Z)-13,13-dihexoxytridec-3-en-1-ol

(Z)-13,13-dihexoxytridec-3-en-1-ol (PubChem CID 163205677) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is (Z)-13,13-dihexoxytridec-3-en-1-ol.

Molecular Properties

Compound Name(Z)-13,13-dihexoxytridec-3-en-1-ol
PubChem CID163205677
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name(Z)-13,13-dihexoxytridec-3-en-1-ol
SMILESCCCCCCOC(CCCCCCCC/C=C\CCO)OCCCCCC
InChIInChI=1S/C25H50O3/c1-3-5-7-19-23-27-25(28-24-20-8-6-4-2)21-17-15-13-11-9-10-12-14-16-18-22-26/h14,16,25-26H,3-13,15,17-24H2,1-2H3/b16-14-
InChIKeyPNQVMRFGSRTONP-PEZBUJJGSA-N
XLogP7.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 57.57
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)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(Z)-1-bromo-12,12-di(nonoxy)dodec-3-ene
CID 163205524
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
(Z)-6,6-diheptoxyhex-3-en-1-ol
CID 163205871
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
CID 175312569

Frequently Asked Questions

What is the IUPAC name of (Z)-13,13-dihexoxytridec-3-en-1-ol?
The IUPAC name of (Z)-13,13-dihexoxytridec-3-en-1-ol (CID 163205677) is (Z)-13,13-dihexoxytridec-3-en-1-ol.
What is the SMILES notation for (Z)-13,13-dihexoxytridec-3-en-1-ol?
The canonical SMILES for (Z)-13,13-dihexoxytridec-3-en-1-ol is CCCCCCOC(CCCCCCCC/C=C\CCO)OCCCCCC.
What is the InChIKey of (Z)-13,13-dihexoxytridec-3-en-1-ol?
The InChIKey is PNQVMRFGSRTONP-PEZBUJJGSA-N. The full InChI is InChI=1S/C25H50O3/c1-3-5-7-19-23-27-25(28-24-20-8-6-4-2)21-17-15-13-11-9-10-12-14-16-18-22-26/h14,16,25-26H,3-13,15,17-24H2,1-2H3/b16-14-.
What are the key properties of (Z)-13,13-dihexoxytridec-3-en-1-ol?
(Z)-13,13-dihexoxytridec-3-en-1-ol has a molecular weight of 398.67 g/mol, XLogP of 7.57, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13,13-dihexoxytridec-3-en-1-ol is sourced from PubChem (CID 163205677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).