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

C26H50O4 — CID 70568383

IUPAChexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCC=CCCCCCCCCCCO
InChIInChI=1S/C16H32O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h5-6,17H,2-4,7-16H2,1H3;9-10H,1-8H2
InChIKeyLWOMKHFCQIKRNJ-UHFFFAOYSA-N
MW426.68 g/mol
LogP7.29
Rot. Bonds15

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

hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane (PubChem CID 70568383) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane.

Molecular Properties

Compound Namehexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
PubChem CID70568383
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Namehexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCC=CCCCCCCCCCCO
InChIInChI=1S/C16H32O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h5-6,17H,2-4,7-16H2,1H3;9-10H,1-8H2
InChIKeyLWOMKHFCQIKRNJ-UHFFFAOYSA-N
XLogP7.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 57.29
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

(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70507744
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
2-[(E)-hept-2-enoxy]oxane
CID 12861157
(E)-heptadec-12-en-1-ol
CID 87814318
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
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-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056

Frequently Asked Questions

What is the IUPAC name of hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The IUPAC name of hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane (CID 70568383) is hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane.
What is the SMILES notation for hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The canonical SMILES for hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane is C1CCC(OC2CCCCO2)OC1.CCCCC=CCCCCCCCCCCO.
What is the InChIKey of hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
The InChIKey is LWOMKHFCQIKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O.C10H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h5-6,17H,2-4,7-16H2,1H3;9-10H,1-8H2.
What are the key properties of hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane?
hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane has a molecular weight of 426.68 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane is sourced from PubChem (CID 70568383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).