1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene

C15H18Cl2O2 — CID 71409026

IUPAC1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccc(OCCCC=C(Cl)Cl)cc1
InChIInChI=1S/C15H18Cl2O2/c1-12(2)11-19-14-8-6-13(7-9-14)18-10-4-3-5-15(16)17/h5-9H,1,3-4,10-11H2,2H3
InChIKeyKYUFRBKEOZCNPV-UHFFFAOYSA-N
MW301.21 g/mol
LogP5.12
Rot. Bonds8

About 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene

1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene (PubChem CID 71409026) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene
PubChem CID71409026
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccc(OCCCC=C(Cl)Cl)cc1
InChIInChI=1S/C15H18Cl2O2/c1-12(2)11-19-14-8-6-13(7-9-14)18-10-4-3-5-15(16)17/h5-9H,1,3-4,10-11H2,2H3
InChIKeyKYUFRBKEOZCNPV-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene
CID 71409019
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686
N-[4-(2-methylprop-2-enoxy)phenyl]formamide
CID 10559618
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
CID 131845691
CID 131845691
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
2-methyl-5-(2-methylprop-2-enoxy)pyridine
CID 130695964
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
N'-[4-(2-methylprop-2-enoxy)phenyl]butane-1,4-diamine
CID 117097538
1-[2-(2-methylprop-2-enoxy)ethoxy]-4-[2-[4-[2-(2-methylprop-2-enoxy)ethoxy]phenyl]propan-2-yl]benzene
CID 21116627

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene (CID 71409026) is 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene is C=C(C)COc1ccc(OCCCC=C(Cl)Cl)cc1.
What is the InChIKey of 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene?
The InChIKey is KYUFRBKEOZCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c1-12(2)11-19-14-8-6-13(7-9-14)18-10-4-3-5-15(16)17/h5-9H,1,3-4,10-11H2,2H3.
What are the key properties of 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene?
1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene has a molecular weight of 301.21 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dichloropent-4-enoxy)-4-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 71409026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).