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

C12H20OS — CID 115798340

IUPAC5-methyl-1-thiophen-3-ylheptan-3-ol
SMILESCCC(C)CC(O)CCc1ccsc1
InChIInChI=1S/C12H20OS/c1-3-10(2)8-12(13)5-4-11-6-7-14-9-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3
InChIKeyFWZDHWCZTPZCDS-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.48
Rot. Bonds6

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

5-methyl-1-thiophen-3-ylheptan-3-ol (PubChem CID 115798340) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-methyl-1-thiophen-3-ylheptan-3-ol.

Molecular Properties

Compound Name5-methyl-1-thiophen-3-ylheptan-3-ol
PubChem CID115798340
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5-methyl-1-thiophen-3-ylheptan-3-ol
SMILESCCC(C)CC(O)CCc1ccsc1
InChIInChI=1S/C12H20OS/c1-3-10(2)8-12(13)5-4-11-6-7-14-9-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3
InChIKeyFWZDHWCZTPZCDS-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-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65132704
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
3-(5-bromohexyl)thiophene
CID 64506689

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-3-ylheptan-3-ol?
The IUPAC name of 5-methyl-1-thiophen-3-ylheptan-3-ol (CID 115798340) is 5-methyl-1-thiophen-3-ylheptan-3-ol.
What is the SMILES notation for 5-methyl-1-thiophen-3-ylheptan-3-ol?
The canonical SMILES for 5-methyl-1-thiophen-3-ylheptan-3-ol is CCC(C)CC(O)CCc1ccsc1.
What is the InChIKey of 5-methyl-1-thiophen-3-ylheptan-3-ol?
The InChIKey is FWZDHWCZTPZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-10(2)8-12(13)5-4-11-6-7-14-9-11/h6-7,9-10,12-13H,3-5,8H2,1-2H3.
What are the key properties of 5-methyl-1-thiophen-3-ylheptan-3-ol?
5-methyl-1-thiophen-3-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-3-ylheptan-3-ol is sourced from PubChem (CID 115798340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).