(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne

C15H20 — CID 11148342

IUPAC(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne
SMILESC#C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3/b7-5-,8-6-,13-11-,14-12-
InChIKeyUXCPLHLHLSGSJK-MEIICLQDSA-N
MW200.32 g/mol
LogP4.42
Rot. Bonds7

About (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne

(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne (PubChem CID 11148342) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne
PubChem CID11148342
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne
SMILESC#C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3/b7-5-,8-6-,13-11-,14-12-
InChIKeyUXCPLHLHLSGSJK-MEIICLQDSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne?
The IUPAC name of (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne (CID 11148342) is (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne.
What is the SMILES notation for (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne?
The canonical SMILES for (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne is C#C/C=C\C/C=C\C/C=C\C/C=C\CC.
What is the InChIKey of (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne?
The InChIKey is UXCPLHLHLSGSJK-MEIICLQDSA-N. The full InChI is InChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3/b7-5-,8-6-,13-11-,14-12-.
What are the key properties of (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne?
(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne has a molecular weight of 200.32 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraen-1-yne is sourced from PubChem (CID 11148342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).