1,1-dichloropent-1-en-3-ylbenzene

C11H12Cl2 — CID 19885763

IUPAC1,1-dichloropent-1-en-3-ylbenzene
SMILESCCC(C=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyPXOVWVDYJHZQFP-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.50
Rot. Bonds3

About 1,1-dichloropent-1-en-3-ylbenzene

1,1-dichloropent-1-en-3-ylbenzene (PubChem CID 19885763) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1,1-dichloropent-1-en-3-ylbenzene.

Molecular Properties

Compound Name1,1-dichloropent-1-en-3-ylbenzene
PubChem CID19885763
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1,1-dichloropent-1-en-3-ylbenzene
SMILESCCC(C=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyPXOVWVDYJHZQFP-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

O-[(Z)-1-amino-3-phenylpent-1-enyl]hydroxylamine
CID 134285914
(3,3-dichloro-1-ethoxyprop-2-enyl)benzene
CID 13032776
dichloromethane;1-phenylpropan-1-ol
CID 175142848
N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
CID 40537943
(3S)-3-phenylpentanoyl chloride
CID 42074098
5-methyl-3-phenylhex-4-en-1-ol
CID 10932246
1-phenylpropan-1-ol;hydrate
CID 156782934
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-phenylbutanal;[(E)-prop-1-enyl]benzene
CID 23461088
azane;pentan-3-ylbenzene
CID 19774895
(E)-2-phenylpent-3-en-1-amine
CID 131236812
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloropent-1-en-3-ylbenzene?
The IUPAC name of 1,1-dichloropent-1-en-3-ylbenzene (CID 19885763) is 1,1-dichloropent-1-en-3-ylbenzene.
What is the SMILES notation for 1,1-dichloropent-1-en-3-ylbenzene?
The canonical SMILES for 1,1-dichloropent-1-en-3-ylbenzene is CCC(C=C(Cl)Cl)c1ccccc1.
What is the InChIKey of 1,1-dichloropent-1-en-3-ylbenzene?
The InChIKey is PXOVWVDYJHZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 1,1-dichloropent-1-en-3-ylbenzene?
1,1-dichloropent-1-en-3-ylbenzene has a molecular weight of 215.12 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropent-1-en-3-ylbenzene is sourced from PubChem (CID 19885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).