19,20-dichlorooctatriacont-19-ene

C38H74Cl2 — CID 141390822

IUPAC19,20-dichlorooctatriacont-19-ene
SMILESCCCCCCCCCCCCCCCCCCC(Cl)=C(Cl)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74Cl2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyLIEROABIKFBQDN-UHFFFAOYSA-N
MW601.92 g/mol
LogP15.98
Rot. Bonds34

About 19,20-dichlorooctatriacont-19-ene

19,20-dichlorooctatriacont-19-ene (PubChem CID 141390822) has the molecular formula C38H74Cl2 and a molecular weight of 601.92 g/mol. Its IUPAC name is 19,20-dichlorooctatriacont-19-ene.

Molecular Properties

Compound Name19,20-dichlorooctatriacont-19-ene
PubChem CID141390822
Molecular FormulaC38H74Cl2
Molecular Weight601.92 g/mol
Exact Mass600.52
IUPAC Name19,20-dichlorooctatriacont-19-ene
SMILESCCCCCCCCCCCCCCCCCCC(Cl)=C(Cl)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74Cl2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyLIEROABIKFBQDN-UHFFFAOYSA-N
XLogP15.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.92
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decane;hypochlorous acid
CID 88775425
hexane;hypochlorous acid
CID 88775298
(E)-2,3-dichlorooctadec-2-enoic acid
CID 3037345
nonadecanoyl chloride
CID 4250939
nonanethioyl chloride
CID 54550885
9,10-dioctyloctadec-9-ene
CID 10814462
(E)-1,2-dichlorohex-1-en-1-ol
CID 118276208
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
methanol;undecane
CID 161373911
8,9-dimethylhexadec-8-ene
CID 140717938
5,6-dibutyltetradec-5-ene
CID 19866346
cyclohexane;octanoyl chloride
CID 175478267

Frequently Asked Questions

What is the IUPAC name of 19,20-dichlorooctatriacont-19-ene?
The IUPAC name of 19,20-dichlorooctatriacont-19-ene (CID 141390822) is 19,20-dichlorooctatriacont-19-ene.
What is the SMILES notation for 19,20-dichlorooctatriacont-19-ene?
The canonical SMILES for 19,20-dichlorooctatriacont-19-ene is CCCCCCCCCCCCCCCCCCC(Cl)=C(Cl)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 19,20-dichlorooctatriacont-19-ene?
The InChIKey is LIEROABIKFBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74Cl2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of 19,20-dichlorooctatriacont-19-ene?
19,20-dichlorooctatriacont-19-ene has a molecular weight of 601.92 g/mol, XLogP of 15.98, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19,20-dichlorooctatriacont-19-ene is sourced from PubChem (CID 141390822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).