2,3-dichloro-4-(2-methylhexan-2-yl)thiophene

C11H16Cl2S — CID 146379385

IUPAC2,3-dichloro-4-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1csc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2S/c1-4-5-6-11(2,3)8-7-14-10(13)9(8)12/h7H,4-6H2,1-3H3
InChIKeyOYTPJKWOQNXWQR-UHFFFAOYSA-N
MW251.22 g/mol
LogP5.52
Rot. Bonds4

About 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene

2,3-dichloro-4-(2-methylhexan-2-yl)thiophene (PubChem CID 146379385) has the molecular formula C11H16Cl2S and a molecular weight of 251.22 g/mol. Its IUPAC name is 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name2,3-dichloro-4-(2-methylhexan-2-yl)thiophene
PubChem CID146379385
Molecular FormulaC11H16Cl2S
Molecular Weight251.22 g/mol
Exact Mass250.03
IUPAC Name2,3-dichloro-4-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1csc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2S/c1-4-5-6-11(2,3)8-7-14-10(13)9(8)12/h7H,4-6H2,1-3H3
InChIKeyOYTPJKWOQNXWQR-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.22
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378598
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-bromo-5-methoxy-3-(2-methylhexan-2-yl)thiophene
CID 146379378
(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol
CID 174218254
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
3-(2-methylhexan-2-yl)-1H-pyridin-2-one
CID 155105380
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene (CID 146379385) is 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1csc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene?
The InChIKey is OYTPJKWOQNXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2S/c1-4-5-6-11(2,3)8-7-14-10(13)9(8)12/h7H,4-6H2,1-3H3.
What are the key properties of 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene?
2,3-dichloro-4-(2-methylhexan-2-yl)thiophene has a molecular weight of 251.22 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146379385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).