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

C15H26 — CID 10703505

IUPAC(Z)-pentadec-6-en-9-yne
SMILESCCCCCC#CC/C=C\CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13H,3-10,15H2,1-2H3/b13-11-
InChIKeyBEJCBUUNLJCGCW-QBFSEMIESA-N
MW206.37 g/mol
LogP5.10
Rot. Bonds8

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

(Z)-pentadec-6-en-9-yne (PubChem CID 10703505) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (Z)-pentadec-6-en-9-yne.

Molecular Properties

Compound Name(Z)-pentadec-6-en-9-yne
PubChem CID10703505
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(Z)-pentadec-6-en-9-yne
SMILESCCCCCC#CC/C=C\CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13H,3-10,15H2,1-2H3/b13-11-
InChIKeyBEJCBUUNLJCGCW-QBFSEMIESA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.10
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)-pentadec-6-en-9-yne?
The IUPAC name of (Z)-pentadec-6-en-9-yne (CID 10703505) is (Z)-pentadec-6-en-9-yne.
What is the SMILES notation for (Z)-pentadec-6-en-9-yne?
The canonical SMILES for (Z)-pentadec-6-en-9-yne is CCCCCC#CC/C=C\CCCCC.
What is the InChIKey of (Z)-pentadec-6-en-9-yne?
The InChIKey is BEJCBUUNLJCGCW-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13H,3-10,15H2,1-2H3/b13-11-.
What are the key properties of (Z)-pentadec-6-en-9-yne?
(Z)-pentadec-6-en-9-yne has a molecular weight of 206.37 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pentadec-6-en-9-yne is sourced from PubChem (CID 10703505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).