1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene

C20Cl40 — CID 88923236

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene
SMILESClC(Cl)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C20Cl40/c21-1(2(22)23)3(24,25)4(26,27)5(28,29)6(30,31)7(32,33)8(34,35)9(36,37)10(38,39)11(40,41)12(42,43)13(44,45)14(46,47)15(48,49)16(50,51)17(52,53)18(54,55)19(56,57)20(58,59)60
InChIKeyUNPLTGHYLLTMCJ-UHFFFAOYSA-N
MW1658.34 g/mol
LogP24.20
Rot. Bonds17

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene (PubChem CID 88923236) has the molecular formula C20Cl40 and a molecular weight of 1658.34 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene
PubChem CID88923236
Molecular FormulaC20Cl40
Molecular Weight1658.34 g/mol
Exact Mass1638.75
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene
SMILESClC(Cl)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C20Cl40/c21-1(2(22)23)3(24,25)4(26,27)5(28,29)6(30,31)7(32,33)8(34,35)9(36,37)10(38,39)11(40,41)12(42,43)13(44,45)14(46,47)15(48,49)16(50,51)17(52,53)18(54,55)19(56,57)20(58,59)60
InChIKeyUNPLTGHYLLTMCJ-UHFFFAOYSA-N
XLogP24.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001658.34
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontachlorohexadecane
CID 172862092
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecachlorohexane-1-sulfinic acid
CID 174795508
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hexatriacontachloroheptadecane;hydrogen sulfite
CID 174515956
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecachloro-3-(1,1,2,2,2-pentachloroethyl)-2-(trichloromethyl)undec-2-enoic acid
CID 172719134
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosachloroundecane
CID 102151886
1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
CID 87603621
1,1,2,2,3,3,3-heptachloropropan-1-ol
CID 54123336
1,1,2,3,4,4-hexachlorobuta-1,3-diene;1,1,1,2,2,2-hexachloroethane
CID 160669279
N,N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tritetracontachloroicosan-1-amine
CID 87566270
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal
CID 173310299
1,2,3,3,4,4,4-heptachloro-1-(1,2,3,3,4,4,4-heptachlorobut-1-enoxy)but-1-ene
CID 173378551
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-hentetracontachloroicosyl hydrogen sulfite
CID 174474935

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene (CID 88923236) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene is ClC(Cl)=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene?
The InChIKey is UNPLTGHYLLTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20Cl40/c21-1(2(22)23)3(24,25)4(26,27)5(28,29)6(30,31)7(32,33)8(34,35)9(36,37)10(38,39)11(40,41)12(42,43)13(44,45)14(46,47)15(48,49)16(50,51)17(52,53)18(54,55)19(56,57)20(58,59)60.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene has a molecular weight of 1658.34 g/mol, XLogP of 24.20, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetracontachloroicos-1-ene is sourced from PubChem (CID 88923236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).