5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol

C14H24OS — CID 115800483

IUPAC5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
SMILESCC(CC(O)CCc1cccs1)C(C)(C)C
InChIInChI=1S/C14H24OS/c1-11(14(2,3)4)10-12(15)7-8-13-6-5-9-16-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyRCELPOUFZDRKJV-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.11
Rot. Bonds5

About 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol

5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol (PubChem CID 115800483) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol.

Molecular Properties

Compound Name5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
PubChem CID115800483
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
SMILESCC(CC(O)CCc1cccs1)C(C)(C)C
InChIInChI=1S/C14H24OS/c1-11(14(2,3)4)10-12(15)7-8-13-6-5-9-16-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyRCELPOUFZDRKJV-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
8-thiophen-2-yloctan-4-ol
CID 64516293
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 116752420

Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol?
The IUPAC name of 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol (CID 115800483) is 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol.
What is the SMILES notation for 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol?
The canonical SMILES for 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol is CC(CC(O)CCc1cccs1)C(C)(C)C.
What is the InChIKey of 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol?
The InChIKey is RCELPOUFZDRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-11(14(2,3)4)10-12(15)7-8-13-6-5-9-16-13/h5-6,9,11-12,15H,7-8,10H2,1-4H3.
What are the key properties of 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol?
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol has a molecular weight of 240.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol is sourced from PubChem (CID 115800483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).