1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene

C12H15Cl — CID 59987342

IUPAC1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
SMILESCC(C)(C)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-9H,1-3H3/b8-7+
InChIKeyNXDPLPJFCQQUEQ-BQYQJAHWSA-N
MW194.70 g/mol
LogP4.40
Rot. Bonds1

About 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene

1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene (PubChem CID 59987342) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
PubChem CID59987342
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
SMILESCC(C)(C)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-9H,1-3H3/b8-7+
InChIKeyNXDPLPJFCQQUEQ-BQYQJAHWSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 158437299
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
[(E)-2-(3-chlorophenyl)ethenyl]-trimethylsilane
CID 15743326
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
CID 162123922
3-(3-chlorophenyl)prop-2-enal
CID 2763111
1-bromo-3-[(E)-3,3-dimethylbut-1-enyl]benzene;1-[(E)-3,3-dimethylbut-1-enyl]-3-fluorobenzene
CID 157326313
N-[4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 85438917
1-chloro-3-[(E)-2-nitrosoethenyl]benzene
CID 174857866
(E)-4-(3-chlorophenyl)-N-methylbut-3-en-2-amine
CID 54775752
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
CID 135010442
3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
CID 122476033

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene (CID 59987342) is 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene is CC(C)(C)/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene?
The InChIKey is NXDPLPJFCQQUEQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15Cl/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-9H,1-3H3/b8-7+.
What are the key properties of 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene?
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene has a molecular weight of 194.70 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene is sourced from PubChem (CID 59987342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).