2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol

C8H14OS — CID 146613118

IUPAC2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)S1
InChIInChI=1S/C8H14OS/c1-6-4-5-7(10-6)8(2,3)9/h4,7,9H,5H2,1-3H3
InChIKeyJXTPEUDGNTXNGI-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.17
Rot. Bonds1

About 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol

2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol (PubChem CID 146613118) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
PubChem CID146613118
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)S1
InChIInChI=1S/C8H14OS/c1-6-4-5-7(10-6)8(2,3)9/h4,7,9H,5H2,1-3H3
InChIKeyJXTPEUDGNTXNGI-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol (CID 146613118) is 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol is CC1=CCC(C(C)(C)O)S1.
What is the InChIKey of 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
The InChIKey is JXTPEUDGNTXNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6-4-5-7(10-6)8(2,3)9/h4,7,9H,5H2,1-3H3.
What are the key properties of 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol?
2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol has a molecular weight of 158.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 146613118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).