tetradeca-2,8,10-trien-4,6-diyn-1-ol

C14H16O — CID 175993693

IUPACtetradeca-2,8,10-trien-4,6-diyn-1-ol
SMILESCCCC=CC=CC#CC#CC=CCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-7,12-13,15H,2-3,14H2,1H3
InChIKeyBUGXTSGEBMXFAT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.45
Rot. Bonds4

About tetradeca-2,8,10-trien-4,6-diyn-1-ol

tetradeca-2,8,10-trien-4,6-diyn-1-ol (PubChem CID 175993693) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is tetradeca-2,8,10-trien-4,6-diyn-1-ol.

Molecular Properties

Compound Nametetradeca-2,8,10-trien-4,6-diyn-1-ol
PubChem CID175993693
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Nametetradeca-2,8,10-trien-4,6-diyn-1-ol
SMILESCCCC=CC=CC#CC#CC=CCO
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-7,12-13,15H,2-3,14H2,1H3
InChIKeyBUGXTSGEBMXFAT-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
CID 97297315
(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
CID 46881232
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
CID 78384618
trideca-2,10,12-trien-4,6,8-triyn-1-ol
CID 71357358
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
CID 141351102

Frequently Asked Questions

What is the IUPAC name of tetradeca-2,8,10-trien-4,6-diyn-1-ol?
The IUPAC name of tetradeca-2,8,10-trien-4,6-diyn-1-ol (CID 175993693) is tetradeca-2,8,10-trien-4,6-diyn-1-ol.
What is the SMILES notation for tetradeca-2,8,10-trien-4,6-diyn-1-ol?
The canonical SMILES for tetradeca-2,8,10-trien-4,6-diyn-1-ol is CCCC=CC=CC#CC#CC=CCO.
What is the InChIKey of tetradeca-2,8,10-trien-4,6-diyn-1-ol?
The InChIKey is BUGXTSGEBMXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-7,12-13,15H,2-3,14H2,1H3.
What are the key properties of tetradeca-2,8,10-trien-4,6-diyn-1-ol?
tetradeca-2,8,10-trien-4,6-diyn-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-2,8,10-trien-4,6-diyn-1-ol is sourced from PubChem (CID 175993693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).