1-dec-7-en-5-yloxyhex-3-en-1-ol

C16H30O2 — CID 57210930

IUPAC1-dec-7-en-5-yloxyhex-3-en-1-ol
SMILESCCC=CCC(O)OC(CC=CCC)CCCC
InChIInChI=1S/C16H30O2/c1-4-7-10-13-15(12-9-6-3)18-16(17)14-11-8-5-2/h7-8,10-11,15-17H,4-6,9,12-14H2,1-3H3
InChIKeyNEJPGJUNVOSWFW-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.59
Rot. Bonds11

About 1-dec-7-en-5-yloxyhex-3-en-1-ol

1-dec-7-en-5-yloxyhex-3-en-1-ol (PubChem CID 57210930) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-dec-7-en-5-yloxyhex-3-en-1-ol.

Molecular Properties

Compound Name1-dec-7-en-5-yloxyhex-3-en-1-ol
PubChem CID57210930
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1-dec-7-en-5-yloxyhex-3-en-1-ol
SMILESCCC=CCC(O)OC(CC=CCC)CCCC
InChIInChI=1S/C16H30O2/c1-4-7-10-13-15(12-9-6-3)18-16(17)14-11-8-5-2/h7-8,10-11,15-17H,4-6,9,12-14H2,1-3H3
InChIKeyNEJPGJUNVOSWFW-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-Hydroxyoctadec-9-enoxy)octadec-9-en-1-ol
CID 90841076
6-[(E)-but-2-enyl]oxan-2-ol
CID 130128991
(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 20531398
(Z)-1,1-diethoxydec-7-en-4-ol
CID 14078616
1-[(E)-octadec-9-enoxy]propane-1,2-diol
CID 18444201
(E)-5-(1-ethoxyethoxy)non-2-ene
CID 20266220
1-[(E)-oct-5-en-3-yl]oxyethanol
CID 22035497
1,1-Diethoxydec-7-en-4-ol
CID 53719370
1-Octadec-9-enoxypropane-1,3-diol
CID 54288753
12,12-Di(propan-2-yloxy)dodeca-6,9-dien-2-ol
CID 57074690
1-Hept-4-en-2-yloxyhex-3-en-1-ol
CID 57122085
1-Non-6-en-4-yloxyhex-3-en-1-ol
CID 57215812

Frequently Asked Questions

What is the IUPAC name of 1-dec-7-en-5-yloxyhex-3-en-1-ol?
The IUPAC name of 1-dec-7-en-5-yloxyhex-3-en-1-ol (CID 57210930) is 1-dec-7-en-5-yloxyhex-3-en-1-ol.
What is the SMILES notation for 1-dec-7-en-5-yloxyhex-3-en-1-ol?
The canonical SMILES for 1-dec-7-en-5-yloxyhex-3-en-1-ol is CCC=CCC(O)OC(CC=CCC)CCCC.
What is the InChIKey of 1-dec-7-en-5-yloxyhex-3-en-1-ol?
The InChIKey is NEJPGJUNVOSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-10-13-15(12-9-6-3)18-16(17)14-11-8-5-2/h7-8,10-11,15-17H,4-6,9,12-14H2,1-3H3.
What are the key properties of 1-dec-7-en-5-yloxyhex-3-en-1-ol?
1-dec-7-en-5-yloxyhex-3-en-1-ol has a molecular weight of 254.41 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-7-en-5-yloxyhex-3-en-1-ol is sourced from PubChem (CID 57210930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).