[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol

C8H14OS — CID 90299717

IUPAC[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
SMILESCC(C)[C@H]1CC=C(CO)S1
InChIInChI=1S/C8H14OS/c1-6(2)8-4-3-7(5-9)10-8/h3,6,8-9H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyDXXRBMSQABHGRC-MRVPVSSYSA-N
MW158.27 g/mol
LogP2.02
Rot. Bonds2

About [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol

[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol (PubChem CID 90299717) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
PubChem CID90299717
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
SMILESCC(C)[C@H]1CC=C(CO)S1
InChIInChI=1S/C8H14OS/c1-6(2)8-4-3-7(5-9)10-8/h3,6,8-9H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyDXXRBMSQABHGRC-MRVPVSSYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67962819
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CID 70248689
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CID 88547643
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CID 89416457
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CID 90299503
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CID 90940257
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CID 90956335
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CID 117808357

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol?
The IUPAC name of [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol (CID 90299717) is [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol.
What is the SMILES notation for [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol?
The canonical SMILES for [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol is CC(C)[C@H]1CC=C(CO)S1.
What is the InChIKey of [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol?
The InChIKey is DXXRBMSQABHGRC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6(2)8-4-3-7(5-9)10-8/h3,6,8-9H,4-5H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol?
[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol has a molecular weight of 158.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol is sourced from PubChem (CID 90299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).