(Z)-6,6-diheptoxyhex-3-en-1-ol

C20H40O3 — CID 163205871

IUPAC(Z)-6,6-diheptoxyhex-3-en-1-ol
SMILESCCCCCCCOC(C/C=C\CCO)OCCCCCCC
InChIInChI=1S/C20H40O3/c1-3-5-7-9-14-18-22-20(16-12-11-13-17-21)23-19-15-10-8-6-4-2/h11-12,20-21H,3-10,13-19H2,1-2H3/b12-11-
InChIKeyZCXFKABLVYZTQL-QXMHVHEDSA-N
MW328.54 g/mol
LogP5.62
Rot. Bonds18

About (Z)-6,6-diheptoxyhex-3-en-1-ol

(Z)-6,6-diheptoxyhex-3-en-1-ol (PubChem CID 163205871) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (Z)-6,6-diheptoxyhex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6,6-diheptoxyhex-3-en-1-ol
PubChem CID163205871
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(Z)-6,6-diheptoxyhex-3-en-1-ol
SMILESCCCCCCCOC(C/C=C\CCO)OCCCCCCC
InChIInChI=1S/C20H40O3/c1-3-5-7-9-14-18-22-20(16-12-11-13-17-21)23-19-15-10-8-6-4-2/h11-12,20-21H,3-10,13-19H2,1-2H3/b12-11-
InChIKeyZCXFKABLVYZTQL-QXMHVHEDSA-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

(Z)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(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
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
3,3-di(tetradecoxy)propylideneazanium
CID 56988710
1-octadec-9-enoxyethane-1,2-diol
CID 173099928
2-[(Z)-octadec-9-enoxy]propane-1,3-diol;hydrate
CID 88725993
(E)-6,6-dimethoxyhex-3-en-1-ol
CID 163205453
2-[(8Z,11Z)-heptadeca-8,11-dienoxy]-2-hexoxyethanamine
CID 53339128

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-diheptoxyhex-3-en-1-ol?
The IUPAC name of (Z)-6,6-diheptoxyhex-3-en-1-ol (CID 163205871) is (Z)-6,6-diheptoxyhex-3-en-1-ol.
What is the SMILES notation for (Z)-6,6-diheptoxyhex-3-en-1-ol?
The canonical SMILES for (Z)-6,6-diheptoxyhex-3-en-1-ol is CCCCCCCOC(C/C=C\CCO)OCCCCCCC.
What is the InChIKey of (Z)-6,6-diheptoxyhex-3-en-1-ol?
The InChIKey is ZCXFKABLVYZTQL-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H40O3/c1-3-5-7-9-14-18-22-20(16-12-11-13-17-21)23-19-15-10-8-6-4-2/h11-12,20-21H,3-10,13-19H2,1-2H3/b12-11-.
What are the key properties of (Z)-6,6-diheptoxyhex-3-en-1-ol?
(Z)-6,6-diheptoxyhex-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 (Z)-6,6-diheptoxyhex-3-en-1-ol is sourced from PubChem (CID 163205871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).