(E)-16-chlorohexadec-5-en-9-yne

C16H27Cl — CID 6437983

IUPAC(E)-16-chlorohexadec-5-en-9-yne
SMILESCCCC/C=C/CCC#CCCCCCCCl
InChIInChI=1S/C16H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3/b6-5+
InChIKeyQZOPJHLCHHFHTC-AATRIKPKSA-N
MW254.84 g/mol
LogP5.71
Rot. Bonds10

About (E)-16-chlorohexadec-5-en-9-yne

(E)-16-chlorohexadec-5-en-9-yne (PubChem CID 6437983) has the molecular formula C16H27Cl and a molecular weight of 254.84 g/mol. Its IUPAC name is (E)-16-chlorohexadec-5-en-9-yne.

Molecular Properties

Compound Name(E)-16-chlorohexadec-5-en-9-yne
PubChem CID6437983
Molecular FormulaC16H27Cl
Molecular Weight254.84 g/mol
Exact Mass254.18
IUPAC Name(E)-16-chlorohexadec-5-en-9-yne
SMILESCCCC/C=C/CCC#CCCCCCCCl
InChIInChI=1S/C16H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3/b6-5+
InChIKeyQZOPJHLCHHFHTC-AATRIKPKSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.84
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-16-chlorohexadec-5-en-9-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Octadecene, 1-chloro-
CID 5367784
3-Nonene, 9-chloro-, (3Z)-
CID 12795776
3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
5-Dodecene, 12-chloro-, (5Z)-
CID 6450294
(z)-9-Tetradecenyl chloride
CID 13034419
(E)-6-chlorodec-4-ene
CID 13297785
5-Pentadecene, 15-chloro-, (5Z)-
CID 6438010
(5Z)-12-chlorododec-5-ene
CID 20841376
7-Pentadecene, 15-chloro-, (7Z)-
CID 20841391
1-Chloro-8-heptadecene
CID 543580

Frequently Asked Questions

What is the IUPAC name of (E)-16-chlorohexadec-5-en-9-yne?
The IUPAC name of (E)-16-chlorohexadec-5-en-9-yne (CID 6437983) is (E)-16-chlorohexadec-5-en-9-yne.
What is the SMILES notation for (E)-16-chlorohexadec-5-en-9-yne?
The canonical SMILES for (E)-16-chlorohexadec-5-en-9-yne is CCCC/C=C/CCC#CCCCCCCCl.
What is the InChIKey of (E)-16-chlorohexadec-5-en-9-yne?
The InChIKey is QZOPJHLCHHFHTC-AATRIKPKSA-N. The full InChI is InChI=1S/C16H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3/b6-5+.
What are the key properties of (E)-16-chlorohexadec-5-en-9-yne?
(E)-16-chlorohexadec-5-en-9-yne has a molecular weight of 254.84 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-16-chlorohexadec-5-en-9-yne is sourced from PubChem (CID 6437983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).