(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol

C17H28O — CID 162971596

IUPAC(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol
SMILESC=CCCCCC[C@@H](O)/C=C/C=C\C/C=C\CC
InChIInChI=1S/C17H28O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4-5,7,10,12,14,16-18H,2-3,6,8-9,11,13,15H2,1H3/b7-5-,12-10-,16-14+/t17-/m1/s1
InChIKeyXRQOZSDRIZPYNO-IPRFWXIGSA-N
MW248.41 g/mol
LogP4.95
Rot. Bonds11

About (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol

(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol (PubChem CID 162971596) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol.

Molecular Properties

Compound Name(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol
PubChem CID162971596
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol
SMILESC=CCCCCC[C@@H](O)/C=C/C=C\C/C=C\CC
InChIInChI=1S/C17H28O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4-5,7,10,12,14,16-18H,2-3,6,8-9,11,13,15H2,1H3/b7-5-,12-10-,16-14+/t17-/m1/s1
InChIKeyXRQOZSDRIZPYNO-IPRFWXIGSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 1787910
1-Nonen-3-ol
CID 89560
2-Octen-4-ol, (2E)-
CID 5366203
1-Decen-3-ol
CID 170977
Oenanthotoxin
CID 44138996
Bombykol
CID 445128
Bupleurotoxin
CID 44613554
(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
1-Undecen-3-ol
CID 3015762
10,12-Hexadecadien-1-ol
CID 5353007
Dendroarboreol B
CID 5469788
Virol C
CID 11108150

Frequently Asked Questions

What is the IUPAC name of (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol?
The IUPAC name of (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol (CID 162971596) is (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol.
What is the SMILES notation for (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol?
The canonical SMILES for (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol is C=CCCCCC[C@@H](O)/C=C/C=C\C/C=C\CC.
What is the InChIKey of (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol?
The InChIKey is XRQOZSDRIZPYNO-IPRFWXIGSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4-5,7,10,12,14,16-18H,2-3,6,8-9,11,13,15H2,1H3/b7-5-,12-10-,16-14+/t17-/m1/s1.
What are the key properties of (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol?
(8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol has a molecular weight of 248.41 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9E,11Z,14Z)-heptadeca-1,9,11,14-tetraen-8-ol is sourced from PubChem (CID 162971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).