(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol

C17H22O — CID 5315864

IUPAC(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C/C=C/C#CC#CCCCO
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-10,18H,2-4,15-17H2,1H3/b6-5+,8-7+,10-9+
InChIKeyOGSBOMXZSBQDPF-SUTYWZMXSA-N
MW242.36 g/mol
LogP3.62
Rot. Bonds7

About (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol

(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol (PubChem CID 5315864) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol.

Molecular Properties

Compound Name(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
PubChem CID5315864
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C/C=C/C#CC#CCCCO
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-10,18H,2-4,15-17H2,1H3/b6-5+,8-7+,10-9+
InChIKeyOGSBOMXZSBQDPF-SUTYWZMXSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol with MolForge

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Related Compounds

heptadeca-8,10-dien-4,6-diyne-1,14-diol
CID 74932187
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
CID 141351102
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(E)-octadec-7-en-9,11-diyne
CID 101092836
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
tetradeca-7,9-dien-1-ol
CID 56637976
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429

Frequently Asked Questions

What is the IUPAC name of (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol?
The IUPAC name of (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol (CID 5315864) is (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol.
What is the SMILES notation for (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol?
The canonical SMILES for (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol is CCCC/C=C/C=C/C=C/C#CC#CCCCO.
What is the InChIKey of (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol?
The InChIKey is OGSBOMXZSBQDPF-SUTYWZMXSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-10,18H,2-4,15-17H2,1H3/b6-5+,8-7+,10-9+.
What are the key properties of (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol?
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol is sourced from PubChem (CID 5315864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).