2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane

C16H24Cl2OS — CID 67875252

IUPAC2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
SMILESC=CCCCCCCc1ccc(Cl)cc1Cl.CS(C)=O
InChIInChI=1S/C14H18Cl2.C2H6OS/c1-2-3-4-5-6-7-8-12-9-10-13(15)11-14(12)16;1-4(2)3/h2,9-11H,1,3-8H2;1-2H3
InChIKeyWWHIASVWSHPARK-UHFFFAOYSA-N
MW335.34 g/mol
LogP5.67
Rot. Bonds7

About 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane

2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane (PubChem CID 67875252) has the molecular formula C16H24Cl2OS and a molecular weight of 335.34 g/mol. Its IUPAC name is 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane.

Molecular Properties

Compound Name2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
PubChem CID67875252
Molecular FormulaC16H24Cl2OS
Molecular Weight335.34 g/mol
Exact Mass334.09
IUPAC Name2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
SMILESC=CCCCCCCc1ccc(Cl)cc1Cl.CS(C)=O
InChIInChI=1S/C14H18Cl2.C2H6OS/c1-2-3-4-5-6-7-8-12-9-10-13(15)11-14(12)16;1-4(2)3/h2,9-11H,1,3-8H2;1-2H3
InChIKeyWWHIASVWSHPARK-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.34
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[6-(2,4-dichlorophenyl)hexylidene]hydroxylamine
CID 10801290
7-(2,4-dichlorophenyl)heptane-1-thiol
CID 10731219
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
1-methyl-2-oct-7-enylbenzene
CID 18786509
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
4-chloro-2-hept-6-enoxy-1-methylbenzene
CID 107010573
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
5-chloro-2-dec-9-enyl-1,3-benzoxazole
CID 25187211

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane?
The IUPAC name of 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane (CID 67875252) is 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane.
What is the SMILES notation for 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane?
The canonical SMILES for 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane is C=CCCCCCCc1ccc(Cl)cc1Cl.CS(C)=O.
What is the InChIKey of 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane?
The InChIKey is WWHIASVWSHPARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2.C2H6OS/c1-2-3-4-5-6-7-8-12-9-10-13(15)11-14(12)16;1-4(2)3/h2,9-11H,1,3-8H2;1-2H3.
What are the key properties of 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane?
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane has a molecular weight of 335.34 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane is sourced from PubChem (CID 67875252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).