1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene

C30H33Cl11 — CID 174792516

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene
SMILESC1CCC2CCCCC2C1.ClC(Cl)Cl.ClCCl.Clc1cccc(Cl)c1Cl.Clc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C10H18.C6H3Cl3.C6H4Cl2.C6H5Cl.CHCl3.CH2Cl2/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4;2-1-3/h9-10H,1-8H2;1-3H;1-4H;1-5H;1H;1H2
InChIKeyGORXKBVBPWGBAA-UHFFFAOYSA-N
MW783.58 g/mol
LogP15.75
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene (PubChem CID 174792516) has the molecular formula C30H33Cl11 and a molecular weight of 783.58 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene
PubChem CID174792516
Molecular FormulaC30H33Cl11
Molecular Weight783.58 g/mol
Exact Mass777.92
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene
SMILESC1CCC2CCCCC2C1.ClC(Cl)Cl.ClCCl.Clc1cccc(Cl)c1Cl.Clc1ccccc1.Clc1ccccc1Cl
InChIInChI=1S/C10H18.C6H3Cl3.C6H4Cl2.C6H5Cl.CHCl3.CH2Cl2/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4;2-1-3/h9-10H,1-8H2;1-3H;1-4H;1-5H;1H;1H2
InChIKeyGORXKBVBPWGBAA-UHFFFAOYSA-N
XLogP15.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.58
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

chlorobenzene;chloroform;1,2-dichlorobenzene
CID 159790050
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
2,6-dichloro-N-cyclohexylaniline
CID 65469917
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
benzene;chlorobenzene
CID 159657667
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202
(2,3-dichlorophenyl)cycloheptane
CID 166869288
N-cyclohexyl-1-(2,3-dichlorophenyl)imidazol-2-amine
CID 106560318
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene (CID 174792516) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene is C1CCC2CCCCC2C1.ClC(Cl)Cl.ClCCl.Clc1cccc(Cl)c1Cl.Clc1ccccc1.Clc1ccccc1Cl.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene?
The InChIKey is GORXKBVBPWGBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C6H3Cl3.C6H4Cl2.C6H5Cl.CHCl3.CH2Cl2/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;2-1(3)4;2-1-3/h9-10H,1-8H2;1-3H;1-4H;1-5H;1H;1H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene has a molecular weight of 783.58 g/mol, XLogP of 15.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;chlorobenzene;chloroform;1,2-dichlorobenzene;dichloromethane;1,2,3-trichlorobenzene is sourced from PubChem (CID 174792516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).