19,19-dichlorononadec-1-yne

C19H34Cl2 — CID 88635184

IUPAC19,19-dichlorononadec-1-yne
SMILESC#CCCCCCCCCCCCCCCCCC(Cl)Cl
InChIInChI=1S/C19H34Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h1,19H,3-18H2
InChIKeyBFZFLIUDFVRARV-UHFFFAOYSA-N
MW333.39 g/mol
LogP7.66
Rot. Bonds16

About 19,19-dichlorononadec-1-yne

19,19-dichlorononadec-1-yne (PubChem CID 88635184) has the molecular formula C19H34Cl2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 19,19-dichlorononadec-1-yne.

Molecular Properties

Compound Name19,19-dichlorononadec-1-yne
PubChem CID88635184
Molecular FormulaC19H34Cl2
Molecular Weight333.39 g/mol
Exact Mass332.20
IUPAC Name19,19-dichlorononadec-1-yne
SMILESC#CCCCCCCCCCCCCCCCCC(Cl)Cl
InChIInChI=1S/C19H34Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h1,19H,3-18H2
InChIKeyBFZFLIUDFVRARV-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 57.66
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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2-bromooctadec-17-ynoic acid
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Frequently Asked Questions

What is the IUPAC name of 19,19-dichlorononadec-1-yne?
The IUPAC name of 19,19-dichlorononadec-1-yne (CID 88635184) is 19,19-dichlorononadec-1-yne.
What is the SMILES notation for 19,19-dichlorononadec-1-yne?
The canonical SMILES for 19,19-dichlorononadec-1-yne is C#CCCCCCCCCCCCCCCCCC(Cl)Cl.
What is the InChIKey of 19,19-dichlorononadec-1-yne?
The InChIKey is BFZFLIUDFVRARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Cl2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h1,19H,3-18H2.
What are the key properties of 19,19-dichlorononadec-1-yne?
19,19-dichlorononadec-1-yne has a molecular weight of 333.39 g/mol, XLogP of 7.66, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dichlorononadec-1-yne is sourced from PubChem (CID 88635184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).