2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal

C10HCl19O — CID 173310299

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal
SMILESO=CC(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/C10HCl19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h1H
InChIKeyWYWDITIIPVAYHG-UHFFFAOYSA-N
MW810.72 g/mol
LogP10.95
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal (PubChem CID 173310299) has the molecular formula C10HCl19O and a molecular weight of 810.72 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal
PubChem CID173310299
Molecular FormulaC10HCl19O
Molecular Weight810.72 g/mol
Exact Mass801.41
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal
SMILESO=CC(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/C10HCl19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h1H
InChIKeyWYWDITIIPVAYHG-UHFFFAOYSA-N
XLogP10.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.72
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hexatriacontachloroheptadecane;hydrogen sulfite
CID 174515956
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecan-2-yl formate
CID 91102486
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosachloroundecane
CID 102151886
CID 88532810
CID 88532810
CID 172712247
CID 172712247
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecachlorohexane-1-sulfinic acid
CID 174795508
CID 172860524
CID 172860524
silylsilane;hexakis(2,2,2-trichloroacetaldehyde)
CID 173161358
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
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosachlorododecane-1-sulfonate
CID 174462244
2-bromo-2-chloropropanedial
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal (CID 173310299) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal is O=CC(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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal?
The InChIKey is WYWDITIIPVAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HCl19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal has a molecular weight of 810.72 g/mol, XLogP of 10.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecachlorodecanal is sourced from PubChem (CID 173310299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).