1-chloro-3-(3-methylidenehexyl)benzene

C13H17Cl — CID 142053887

IUPAC1-chloro-3-(3-methylidenehexyl)benzene
SMILESC=C(CCC)CCc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl/c1-3-5-11(2)8-9-12-6-4-7-13(14)10-12/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyRRQAZSQVFBVJIY-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.63
Rot. Bonds5

About 1-chloro-3-(3-methylidenehexyl)benzene

1-chloro-3-(3-methylidenehexyl)benzene (PubChem CID 142053887) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-3-(3-methylidenehexyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-methylidenehexyl)benzene
PubChem CID142053887
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-3-(3-methylidenehexyl)benzene
SMILESC=C(CCC)CCc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl/c1-3-5-11(2)8-9-12-6-4-7-13(14)10-12/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyRRQAZSQVFBVJIY-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N,N-dimethylpropanethioamide
CID 162716651
1-chloro-3-octylbenzene
CID 11458768
3-(3-chlorophenyl)propanoate
CID 6946708
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
6-(3-chlorophenyl)hexan-3-one
CID 64520537
ethyl 5-(3-chlorophenyl)-2-methylidenepentanoate
CID 12932093
2-(3-chlorophenyl)ethyl pentanoate
CID 141256814
2-(3-chlorophenyl)ethyl-methyl-methylideneazanium
CID 123695552
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methylidenehexyl)benzene?
The IUPAC name of 1-chloro-3-(3-methylidenehexyl)benzene (CID 142053887) is 1-chloro-3-(3-methylidenehexyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-methylidenehexyl)benzene?
The canonical SMILES for 1-chloro-3-(3-methylidenehexyl)benzene is C=C(CCC)CCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-methylidenehexyl)benzene?
The InChIKey is RRQAZSQVFBVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-3-5-11(2)8-9-12-6-4-7-13(14)10-12/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 1-chloro-3-(3-methylidenehexyl)benzene?
1-chloro-3-(3-methylidenehexyl)benzene has a molecular weight of 208.73 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methylidenehexyl)benzene is sourced from PubChem (CID 142053887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).