1,3,3,5-tetrachlorononane

C9H16Cl4 — CID 12537315

IUPAC1,3,3,5-tetrachlorononane
SMILESCCCCC(Cl)CC(Cl)(Cl)CCCl
InChIInChI=1S/C9H16Cl4/c1-2-3-4-8(11)7-9(12,13)5-6-10/h8H,2-7H2,1H3
InChIKeyDCNUPXSOWMWSJH-UHFFFAOYSA-N
MW266.04 g/mol
LogP4.98
Rot. Bonds7

About 1,3,3,5-tetrachlorononane

1,3,3,5-tetrachlorononane (PubChem CID 12537315) has the molecular formula C9H16Cl4 and a molecular weight of 266.04 g/mol. Its IUPAC name is 1,3,3,5-tetrachlorononane.

Molecular Properties

Compound Name1,3,3,5-tetrachlorononane
PubChem CID12537315
Molecular FormulaC9H16Cl4
Molecular Weight266.04 g/mol
Exact Mass264.00
IUPAC Name1,3,3,5-tetrachlorononane
SMILESCCCCC(Cl)CC(Cl)(Cl)CCCl
InChIInChI=1S/C9H16Cl4/c1-2-3-4-8(11)7-9(12,13)5-6-10/h8H,2-7H2,1H3
InChIKeyDCNUPXSOWMWSJH-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichlorononane
CID 57182000
ethyl 2,2,4-trichlorooctanoate
CID 14970938
azane;1,3-dichloropentadecane
CID 87123860
17-chlorotritriacontane
CID 87852962
(2S)-1,2-dichlorododecane
CID 98052710
1-chlorobutane;chloroform
CID 88838918
2-chloro-1-methoxyhexane
CID 13146998
2-chloro-1-(2-chlorohexylseleninyl)hexane
CID 134926035
5-chlorononane;phosphoric acid
CID 88768187
1,1-dichloroethane;1,2-dichloroethane;hexane
CID 175301802
1,1-dichloropentane;gallane
CID 174452216
2,3-dichloroheptan-2-ol
CID 150485073

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5-tetrachlorononane?
The IUPAC name of 1,3,3,5-tetrachlorononane (CID 12537315) is 1,3,3,5-tetrachlorononane.
What is the SMILES notation for 1,3,3,5-tetrachlorononane?
The canonical SMILES for 1,3,3,5-tetrachlorononane is CCCCC(Cl)CC(Cl)(Cl)CCCl.
What is the InChIKey of 1,3,3,5-tetrachlorononane?
The InChIKey is DCNUPXSOWMWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl4/c1-2-3-4-8(11)7-9(12,13)5-6-10/h8H,2-7H2,1H3.
What are the key properties of 1,3,3,5-tetrachlorononane?
1,3,3,5-tetrachlorononane has a molecular weight of 266.04 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5-tetrachlorononane is sourced from PubChem (CID 12537315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).