2-methylhexanoic acid;thiophene

C11H18O2S — CID 174580126

IUPAC2-methylhexanoic acid;thiophene
SMILESCCCCC(C)C(=O)O.c1ccsc1
InChIInChI=1S/C7H14O2.C4H4S/c1-3-4-5-6(2)7(8)9;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H,8,9);1-4H
InChIKeyKYZYSESYESPZSE-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.65
Rot. Bonds4

About 2-methylhexanoic acid;thiophene

2-methylhexanoic acid;thiophene (PubChem CID 174580126) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methylhexanoic acid;thiophene.

Molecular Properties

Compound Name2-methylhexanoic acid;thiophene
PubChem CID174580126
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-methylhexanoic acid;thiophene
SMILESCCCCC(C)C(=O)O.c1ccsc1
InChIInChI=1S/C7H14O2.C4H4S/c1-3-4-5-6(2)7(8)9;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H,8,9);1-4H
InChIKeyKYZYSESYESPZSE-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylhexanoic acid;thiophene 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

calcium;hydride;2-methylhexanoic acid
CID 173227921
methanol;2-methylheptanoic acid
CID 174821979
heptane;2-methylheptadecanoic acid
CID 175511035
2-methyloctanoic acid chloride
CID 86745562
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233
2-methyl-6-oxodecanoic acid
CID 22217196
2,9,10-trimethyloctadecanoic acid
CID 14298664
2,11-dimethylhexadecanoic acid
CID 22251936
CID 159174397
CID 159174397
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2,2-dimethylpropane;methanol;(2S)-2-methylheptanoic acid;propan-2-one
CID 178171776

Frequently Asked Questions

What is the IUPAC name of 2-methylhexanoic acid;thiophene?
The IUPAC name of 2-methylhexanoic acid;thiophene (CID 174580126) is 2-methylhexanoic acid;thiophene.
What is the SMILES notation for 2-methylhexanoic acid;thiophene?
The canonical SMILES for 2-methylhexanoic acid;thiophene is CCCCC(C)C(=O)O.c1ccsc1.
What is the InChIKey of 2-methylhexanoic acid;thiophene?
The InChIKey is KYZYSESYESPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H4S/c1-3-4-5-6(2)7(8)9;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H,8,9);1-4H.
What are the key properties of 2-methylhexanoic acid;thiophene?
2-methylhexanoic acid;thiophene has a molecular weight of 214.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexanoic acid;thiophene is sourced from PubChem (CID 174580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).