1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C10H14Cl4 — CID 57287780

IUPAC1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESClC1C(Cl)C(Cl)C2CCCCC2C1Cl
InChIInChI=1S/C10H14Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h5-10H,1-4H2
InChIKeyRIDMCUJNCSQLAC-UHFFFAOYSA-N
MW276.03 g/mol
LogP4.24
Rot. Bonds

About 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 57287780) has the molecular formula C10H14Cl4 and a molecular weight of 276.03 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID57287780
Molecular FormulaC10H14Cl4
Molecular Weight276.03 g/mol
Exact Mass273.98
IUPAC Name1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESClC1C(Cl)C(Cl)C2CCCCC2C1Cl
InChIInChI=1S/C10H14Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h5-10H,1-4H2
InChIKeyRIDMCUJNCSQLAC-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 54.24
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

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CID 101375325
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
CID 88651642
9-chloro-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene;ethane
CID 143318730
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
1-chloro-2-cyclopentylcycloheptane
CID 63511633
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
(1S,6R,7S,8R)-7,8-dichloro-9-thiabicyclo[4.2.1]nonane
CID 130884921
(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 101163939
8-chloro-7,8-dideuteriobicyclo[4.2.0]octan-7-ol
CID 11194509

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 57287780) is 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is ClC1C(Cl)C(Cl)C2CCCCC2C1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is RIDMCUJNCSQLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h5-10H,1-4H2.
What are the key properties of 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 276.03 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 57287780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).