(2R,8S)-1,2,8,9-tetrachlorononane

C9H16Cl4 — CID 98103574

IUPAC(2R,8S)-1,2,8,9-tetrachlorononane
SMILESClC[C@@H](Cl)CCCCC[C@@H](Cl)CCl
InChIInChI=1S/C9H16Cl4/c10-6-8(12)4-2-1-3-5-9(13)7-11/h8-9H,1-7H2/t8-,9+
InChIKeyXYOZQZZVJXSSML-DTORHVGOSA-N
MW266.04 g/mol
LogP4.63
Rot. Bonds8

About (2R,8S)-1,2,8,9-tetrachlorononane

(2R,8S)-1,2,8,9-tetrachlorononane (PubChem CID 98103574) has the molecular formula C9H16Cl4 and a molecular weight of 266.04 g/mol. Its IUPAC name is (2R,8S)-1,2,8,9-tetrachlorononane.

Molecular Properties

Compound Name(2R,8S)-1,2,8,9-tetrachlorononane
PubChem CID98103574
Molecular FormulaC9H16Cl4
Molecular Weight266.04 g/mol
Exact Mass264.00
IUPAC Name(2R,8S)-1,2,8,9-tetrachlorononane
SMILESClC[C@@H](Cl)CCCCC[C@@H](Cl)CCl
InChIInChI=1S/C9H16Cl4/c10-6-8(12)4-2-1-3-5-9(13)7-11/h8-9H,1-7H2/t8-,9+
InChIKeyXYOZQZZVJXSSML-DTORHVGOSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 54.63
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'}

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Related Compounds

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CID 172717979
(2S)-1,2-dichlorododecane
CID 98052710
1,1,1,3,9,10-hexachlorodecane
CID 53421412
1,2-dichloro-5-methoxypentane
CID 119097663
1,2,3-trichloropropane;hydrate
CID 172556253
17-chlorotritriacontane
CID 87852962
1,2,5-trichlorooctane
CID 20749063
azane;1,3-dichloropentadecane
CID 87123860
4-chloropentadecane
CID 63459834
1,2-dichloro-5,5-dimethylhexane
CID 129235296
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-1,2,8,9-tetrachlorononane?
The IUPAC name of (2R,8S)-1,2,8,9-tetrachlorononane (CID 98103574) is (2R,8S)-1,2,8,9-tetrachlorononane.
What is the SMILES notation for (2R,8S)-1,2,8,9-tetrachlorononane?
The canonical SMILES for (2R,8S)-1,2,8,9-tetrachlorononane is ClC[C@@H](Cl)CCCCC[C@@H](Cl)CCl.
What is the InChIKey of (2R,8S)-1,2,8,9-tetrachlorononane?
The InChIKey is XYOZQZZVJXSSML-DTORHVGOSA-N. The full InChI is InChI=1S/C9H16Cl4/c10-6-8(12)4-2-1-3-5-9(13)7-11/h8-9H,1-7H2/t8-,9+.
What are the key properties of (2R,8S)-1,2,8,9-tetrachlorononane?
(2R,8S)-1,2,8,9-tetrachlorononane has a molecular weight of 266.04 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-1,2,8,9-tetrachlorononane is sourced from PubChem (CID 98103574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).