(1,1-dichloro-2-ethenyldecyl)benzene

C18H26Cl2 — CID 150575050

IUPAC(1,1-dichloro-2-ethenyldecyl)benzene
SMILESC=CC(CCCCCCCC)C(Cl)(Cl)c1ccccc1
InChIInChI=1S/C18H26Cl2/c1-3-5-6-7-8-10-13-16(4-2)18(19,20)17-14-11-9-12-15-17/h4,9,11-12,14-16H,2-3,5-8,10,13H2,1H3
InChIKeyIMPZOSDGWWBZOB-UHFFFAOYSA-N
MW313.31 g/mol
LogP6.87
Rot. Bonds10

About (1,1-dichloro-2-ethenyldecyl)benzene

(1,1-dichloro-2-ethenyldecyl)benzene (PubChem CID 150575050) has the molecular formula C18H26Cl2 and a molecular weight of 313.31 g/mol. Its IUPAC name is (1,1-dichloro-2-ethenyldecyl)benzene.

Molecular Properties

Compound Name(1,1-dichloro-2-ethenyldecyl)benzene
PubChem CID150575050
Molecular FormulaC18H26Cl2
Molecular Weight313.31 g/mol
Exact Mass312.14
IUPAC Name(1,1-dichloro-2-ethenyldecyl)benzene
SMILESC=CC(CCCCCCCC)C(Cl)(Cl)c1ccccc1
InChIInChI=1S/C18H26Cl2/c1-3-5-6-7-8-10-13-16(4-2)18(19,20)17-14-11-9-12-15-17/h4,9,11-12,14-16H,2-3,5-8,10,13H2,1H3
InChIKeyIMPZOSDGWWBZOB-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1,1-dichloro-2-ethenyldecyl)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

(2-ethenyl-1,1-diphenoxydecoxy)benzene
CID 150684790
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
1,1,1,2,3-pentachlorodecan-2-ylbenzene
CID 150798640
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
2-ethenyltetradecylbenzene
CID 173452613
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
CID 164671001
CID 164671001
3,3-diphenylhenicosan-4-amine;hydrochloride
CID 173426885
2,2-dichloroundecan-3-ylbenzene
CID 151571814

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-2-ethenyldecyl)benzene?
The IUPAC name of (1,1-dichloro-2-ethenyldecyl)benzene (CID 150575050) is (1,1-dichloro-2-ethenyldecyl)benzene.
What is the SMILES notation for (1,1-dichloro-2-ethenyldecyl)benzene?
The canonical SMILES for (1,1-dichloro-2-ethenyldecyl)benzene is C=CC(CCCCCCCC)C(Cl)(Cl)c1ccccc1.
What is the InChIKey of (1,1-dichloro-2-ethenyldecyl)benzene?
The InChIKey is IMPZOSDGWWBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2/c1-3-5-6-7-8-10-13-16(4-2)18(19,20)17-14-11-9-12-15-17/h4,9,11-12,14-16H,2-3,5-8,10,13H2,1H3.
What are the key properties of (1,1-dichloro-2-ethenyldecyl)benzene?
(1,1-dichloro-2-ethenyldecyl)benzene has a molecular weight of 313.31 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-2-ethenyldecyl)benzene is sourced from PubChem (CID 150575050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).