5-methyl-1-thiophen-2-ylheptan-3-ol

C12H20OS — CID 115800369

IUPAC5-methyl-1-thiophen-2-ylheptan-3-ol
SMILESCCC(C)CC(O)CCc1cccs1
InChIInChI=1S/C12H20OS/c1-3-10(2)9-11(13)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,3,6-7,9H2,1-2H3
InChIKeyHRQVYFXSKUJFLL-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.48
Rot. Bonds6

About 5-methyl-1-thiophen-2-ylheptan-3-ol

5-methyl-1-thiophen-2-ylheptan-3-ol (PubChem CID 115800369) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-methyl-1-thiophen-2-ylheptan-3-ol.

Molecular Properties

Compound Name5-methyl-1-thiophen-2-ylheptan-3-ol
PubChem CID115800369
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5-methyl-1-thiophen-2-ylheptan-3-ol
SMILESCCC(C)CC(O)CCc1cccs1
InChIInChI=1S/C12H20OS/c1-3-10(2)9-11(13)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,3,6-7,9H2,1-2H3
InChIKeyHRQVYFXSKUJFLL-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
4-methyl-6-thiophen-2-ylhexan-2-one
CID 64719614
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
8-thiophen-2-yloctan-4-ol
CID 64516293
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-2-ylheptan-3-ol?
The IUPAC name of 5-methyl-1-thiophen-2-ylheptan-3-ol (CID 115800369) is 5-methyl-1-thiophen-2-ylheptan-3-ol.
What is the SMILES notation for 5-methyl-1-thiophen-2-ylheptan-3-ol?
The canonical SMILES for 5-methyl-1-thiophen-2-ylheptan-3-ol is CCC(C)CC(O)CCc1cccs1.
What is the InChIKey of 5-methyl-1-thiophen-2-ylheptan-3-ol?
The InChIKey is HRQVYFXSKUJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-10(2)9-11(13)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,3,6-7,9H2,1-2H3.
What are the key properties of 5-methyl-1-thiophen-2-ylheptan-3-ol?
5-methyl-1-thiophen-2-ylheptan-3-ol has a molecular weight of 212.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-2-ylheptan-3-ol is sourced from PubChem (CID 115800369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).