1,1,1,3,9,10-hexachlorodecane

C10H16Cl6 — CID 53421412

IUPAC1,1,1,3,9,10-hexachlorodecane
SMILESClCC(Cl)CCCCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl6/c11-7-9(13)5-3-1-2-4-8(12)6-10(14,15)16/h8-9H,1-7H2
InChIKeyUKWMKFFMXRNLCE-UHFFFAOYSA-N
MW348.96 g/mol
LogP6.15
Rot. Bonds8

About 1,1,1,3,9,10-hexachlorodecane

1,1,1,3,9,10-hexachlorodecane (PubChem CID 53421412) has the molecular formula C10H16Cl6 and a molecular weight of 348.96 g/mol. Its IUPAC name is 1,1,1,3,9,10-hexachlorodecane.

Molecular Properties

Compound Name1,1,1,3,9,10-hexachlorodecane
PubChem CID53421412
Molecular FormulaC10H16Cl6
Molecular Weight348.96 g/mol
Exact Mass345.94
IUPAC Name1,1,1,3,9,10-hexachlorodecane
SMILESClCC(Cl)CCCCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl6/c11-7-9(13)5-3-1-2-4-8(12)6-10(14,15)16/h8-9H,1-7H2
InChIKeyUKWMKFFMXRNLCE-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.96
LogP ≤ 56.15
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'}

Analyze 1,1,1,3,9,10-hexachlorodecane 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

(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574
9,10-dichlorodecan-1-ol
CID 172717979
7,9,9,9-tetrachloronon-1-ene
CID 71386066
(2S)-1,2-dichlorododecane
CID 98052710
1,1,1,3-tetrachloropentane
CID 13227610
1,2-dichloro-5-methoxypentane
CID 119097663
(2S)-1,2,4,4-tetrachloropentane
CID 642179
1,3,3,5-tetrachlorononane
CID 12537315
1,2-dichloro-5,5-dimethylhexane
CID 129235296
5-chlorononane-1,9-diol
CID 87402424
1,2,3-trichloropropane;hydrate
CID 172556253
1,4,4,4-tetrachlorobutan-2-ol
CID 11052958

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,9,10-hexachlorodecane?
The IUPAC name of 1,1,1,3,9,10-hexachlorodecane (CID 53421412) is 1,1,1,3,9,10-hexachlorodecane.
What is the SMILES notation for 1,1,1,3,9,10-hexachlorodecane?
The canonical SMILES for 1,1,1,3,9,10-hexachlorodecane is ClCC(Cl)CCCCCC(Cl)CC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,3,9,10-hexachlorodecane?
The InChIKey is UKWMKFFMXRNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl6/c11-7-9(13)5-3-1-2-4-8(12)6-10(14,15)16/h8-9H,1-7H2.
What are the key properties of 1,1,1,3,9,10-hexachlorodecane?
1,1,1,3,9,10-hexachlorodecane has a molecular weight of 348.96 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,9,10-hexachlorodecane is sourced from PubChem (CID 53421412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).