(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane

C27H52O4 — CID 86737423

IUPAC(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCC/C=C\CCCCCCCCCCO
InChIInChI=1S/C17H34O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h6-7,18H,2-5,8-17H2,1H3;9-10H,1-8H2/b7-6-;
InChIKeyZSOIFYQUMGOEMU-NAFXZHHSSA-N
MW440.71 g/mol
LogP7.68
Rot. Bonds16

About (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane

(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane (PubChem CID 86737423) has the molecular formula C27H52O4 and a molecular weight of 440.71 g/mol. Its IUPAC name is (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane.

Molecular Properties

Compound Name(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
PubChem CID86737423
Molecular FormulaC27H52O4
Molecular Weight440.71 g/mol
Exact Mass440.39
IUPAC Name(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCC/C=C\CCCCCCCCCCO
InChIInChI=1S/C17H34O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h6-7,18H,2-5,8-17H2,1H3;9-10H,1-8H2/b7-6-;
InChIKeyZSOIFYQUMGOEMU-NAFXZHHSSA-N
XLogP7.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70568383
2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70507744
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 57099136
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918

Frequently Asked Questions

What is the IUPAC name of (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The IUPAC name of (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane (CID 86737423) is (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane.
What is the SMILES notation for (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The canonical SMILES for (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane is C1CCC(OC2CCCCO2)OC1.CCCCC/C=C\CCCCCCCCCCO.
What is the InChIKey of (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The InChIKey is ZSOIFYQUMGOEMU-NAFXZHHSSA-N. The full InChI is InChI=1S/C17H34O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h6-7,18H,2-5,8-17H2,1H3;9-10H,1-8H2/b7-6-;.
What are the key properties of (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane has a molecular weight of 440.71 g/mol, XLogP of 7.68, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane is sourced from PubChem (CID 86737423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).