1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene

C14H17Cl3 — CID 88784401

IUPAC1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
SMILESCCC(C)(C)C(Cl)C=C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H17Cl3/c1-4-14(2,3)13(17)9-12(16)10-5-7-11(15)8-6-10/h5-9,13H,4H2,1-3H3
InChIKeyYLPHUKMFEOJDPJ-UHFFFAOYSA-N
MW291.65 g/mol
LogP5.96
Rot. Bonds4

About 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene

1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene (PubChem CID 88784401) has the molecular formula C14H17Cl3 and a molecular weight of 291.65 g/mol. Its IUPAC name is 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
PubChem CID88784401
Molecular FormulaC14H17Cl3
Molecular Weight291.65 g/mol
Exact Mass290.04
IUPAC Name1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
SMILESCCC(C)(C)C(Cl)C=C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H17Cl3/c1-4-14(2,3)13(17)9-12(16)10-5-7-11(15)8-6-10/h5-9,13H,4H2,1-3H3
InChIKeyYLPHUKMFEOJDPJ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.65
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
CID 12881547
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
CID 87277386
[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
CID 125476058
1-chloro-4-(2,2-dimethyl-1-sulfinylpropyl)benzene
CID 13050046
[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
CID 6446895
2-[chloro-(4-chlorophenyl)methylidene]pentanal
CID 3019219
4-(4-chlorophenyl)hex-3-en-1-amine
CID 76997304
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
CID 115034283
2-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile
CID 5473313

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene?
The IUPAC name of 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene (CID 88784401) is 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene?
The canonical SMILES for 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene is CCC(C)(C)C(Cl)C=C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene?
The InChIKey is YLPHUKMFEOJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3/c1-4-14(2,3)13(17)9-12(16)10-5-7-11(15)8-6-10/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene?
1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene has a molecular weight of 291.65 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene is sourced from PubChem (CID 88784401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).