tetradeca-5,8-dien-1-yne

C14H22 — CID 140824336

IUPACtetradeca-5,8-dien-1-yne
SMILESC#CCCC=CCC=CCCCCC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,9,11-12,14H,4-8,10,13H2,2H3
InChIKeyODHCAPXKYVCANA-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds8

About tetradeca-5,8-dien-1-yne

tetradeca-5,8-dien-1-yne (PubChem CID 140824336) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is tetradeca-5,8-dien-1-yne.

Molecular Properties

Compound Nametetradeca-5,8-dien-1-yne
PubChem CID140824336
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nametetradeca-5,8-dien-1-yne
SMILESC#CCCC=CCC=CCCCCC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,9,11-12,14H,4-8,10,13H2,2H3
InChIKeyODHCAPXKYVCANA-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene
CID 10782537
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
18-iodooctadeca-6,9-diene
CID 54451321
docosa-4,7,11-triene
CID 141035180
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719

Frequently Asked Questions

What is the IUPAC name of tetradeca-5,8-dien-1-yne?
The IUPAC name of tetradeca-5,8-dien-1-yne (CID 140824336) is tetradeca-5,8-dien-1-yne.
What is the SMILES notation for tetradeca-5,8-dien-1-yne?
The canonical SMILES for tetradeca-5,8-dien-1-yne is C#CCCC=CCC=CCCCCC.
What is the InChIKey of tetradeca-5,8-dien-1-yne?
The InChIKey is ODHCAPXKYVCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,9,11-12,14H,4-8,10,13H2,2H3.
What are the key properties of tetradeca-5,8-dien-1-yne?
tetradeca-5,8-dien-1-yne has a molecular weight of 190.33 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-5,8-dien-1-yne is sourced from PubChem (CID 140824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).