1-chloro-4-(3-methylidenehexyl)benzene

C13H17Cl — CID 166967432

IUPAC1-chloro-4-(3-methylidenehexyl)benzene
SMILESC=C(CCC)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl/c1-3-4-11(2)5-6-12-7-9-13(14)10-8-12/h7-10H,2-6H2,1H3
InChIKeyDMZMTRJIVWJAOO-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.63
Rot. Bonds5

About 1-chloro-4-(3-methylidenehexyl)benzene

1-chloro-4-(3-methylidenehexyl)benzene (PubChem CID 166967432) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-4-(3-methylidenehexyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-methylidenehexyl)benzene
PubChem CID166967432
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-4-(3-methylidenehexyl)benzene
SMILESC=C(CCC)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl/c1-3-4-11(2)5-6-12-7-9-13(14)10-8-12/h7-10H,2-6H2,1H3
InChIKeyDMZMTRJIVWJAOO-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

1-chloro-3-(3-methylidenehexyl)benzene
CID 142053887
1-methyl-4-(3-methylidenepentyl)benzene
CID 18956749
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
1-chloro-4-[2-(3-methylbut-3-enoxy)ethyl]benzene
CID 142585540
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
methyl 4-(4-chlorophenyl)-2-oxobutanoate
CID 18370340
3-[(4-chlorophenyl)methyl]-N-methylbut-3-en-1-amine
CID 117268959
acetyl 3-(4-chlorophenyl)propanoate
CID 174360219
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
1-amino-4-(4-chlorophenyl)butan-2-one
CID 59029546

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylidenehexyl)benzene?
The IUPAC name of 1-chloro-4-(3-methylidenehexyl)benzene (CID 166967432) is 1-chloro-4-(3-methylidenehexyl)benzene.
What is the SMILES notation for 1-chloro-4-(3-methylidenehexyl)benzene?
The canonical SMILES for 1-chloro-4-(3-methylidenehexyl)benzene is C=C(CCC)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(3-methylidenehexyl)benzene?
The InChIKey is DMZMTRJIVWJAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-3-4-11(2)5-6-12-7-9-13(14)10-8-12/h7-10H,2-6H2,1H3.
What are the key properties of 1-chloro-4-(3-methylidenehexyl)benzene?
1-chloro-4-(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-4-(3-methylidenehexyl)benzene is sourced from PubChem (CID 166967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).