(Z)-nonadec-6-en-9-yne

C19H34 — CID 56936084

IUPAC(Z)-nonadec-6-en-9-yne
SMILESCCCCC/C=C\CC#CCCCCCCCCC
InChIInChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16,18H2,1-2H3/b13-11-
InChIKeyOWAGRBFFVIWJKP-QBFSEMIESA-N
MW262.48 g/mol
LogP6.66
Rot. Bonds12

About (Z)-nonadec-6-en-9-yne

(Z)-nonadec-6-en-9-yne (PubChem CID 56936084) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is (Z)-nonadec-6-en-9-yne.

Molecular Properties

Compound Name(Z)-nonadec-6-en-9-yne
PubChem CID56936084
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name(Z)-nonadec-6-en-9-yne
SMILESCCCCC/C=C\CC#CCCCCCCCCC
InChIInChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16,18H2,1-2H3/b13-11-
InChIKeyOWAGRBFFVIWJKP-QBFSEMIESA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.66
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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Frequently Asked Questions

What is the IUPAC name of (Z)-nonadec-6-en-9-yne?
The IUPAC name of (Z)-nonadec-6-en-9-yne (CID 56936084) is (Z)-nonadec-6-en-9-yne.
What is the SMILES notation for (Z)-nonadec-6-en-9-yne?
The canonical SMILES for (Z)-nonadec-6-en-9-yne is CCCCC/C=C\CC#CCCCCCCCCC.
What is the InChIKey of (Z)-nonadec-6-en-9-yne?
The InChIKey is OWAGRBFFVIWJKP-QBFSEMIESA-N. The full InChI is InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-16,18H2,1-2H3/b13-11-.
What are the key properties of (Z)-nonadec-6-en-9-yne?
(Z)-nonadec-6-en-9-yne has a molecular weight of 262.48 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-nonadec-6-en-9-yne is sourced from PubChem (CID 56936084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).