(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol

C17H24O — CID 87603284

IUPAC(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#C/C=C/CCCCCCCC
InChIInChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,11-12,17-18H,2-3,5-10H2,1H3/b12-11+
InChIKeyQMLGDAUWIFWXPW-VAWYXSNFSA-N
MW244.38 g/mol
LogP3.85
Rot. Bonds8

About (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol

(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol (PubChem CID 87603284) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
PubChem CID87603284
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#C/C=C/CCCCCCCC
InChIInChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,11-12,17-18H,2-3,5-10H2,1H3/b12-11+
InChIKeyQMLGDAUWIFWXPW-VAWYXSNFSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.85
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
(3R,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 102184429
(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol;(3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 87532668
(9Z,15S)-15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-one
CID 162924335
(3S,9E,11E)-heptadeca-1,9,11-trien-4,6-diyn-3-ol
CID 162983421
(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
CID 90656893
(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733
heptadeca-1,8,16-trien-4,6-diyne-3,10-diol
CID 2986
(E)-octadec-7-en-9,11-diyne
CID 101092836
(9Z,11S,16R)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol
CID 102004534
(Z,3R,8S)-heptadec-9-en-4,6-diyne-3,8-diol
CID 95359688
(3S,8E,11R,12E,14Z)-heptadeca-1,8,12,14-tetraen-4,6-diyne-3,11-diol
CID 162849256

Frequently Asked Questions

What is the IUPAC name of (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol?
The IUPAC name of (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol (CID 87603284) is (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol.
What is the SMILES notation for (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol?
The canonical SMILES for (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol is C=CC(O)C#CC#C/C=C/CCCCCCCC.
What is the InChIKey of (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol?
The InChIKey is QMLGDAUWIFWXPW-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,11-12,17-18H,2-3,5-10H2,1H3/b12-11+.
What are the key properties of (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol?
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol has a molecular weight of 244.38 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-heptadeca-1,8-dien-4,6-diyn-3-ol is sourced from PubChem (CID 87603284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).