(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol

C7H12OS — CID 90956335

IUPAC(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1C=C(CO)SC1C
InChIInChI=1S/C7H12OS/c1-5-3-7(4-8)9-6(5)2/h3,5-6,8H,4H2,1-2H3
InChIKeyVTCNGDSSHBHMCQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.63
Rot. Bonds1

About (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol

(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol (PubChem CID 90956335) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol
PubChem CID90956335
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol
SMILESCC1C=C(CO)SC1C
InChIInChI=1S/C7H12OS/c1-5-3-7(4-8)9-6(5)2/h3,5-6,8H,4H2,1-2H3
InChIKeyVTCNGDSSHBHMCQ-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-Dimethyl-2,5-dihydrothiophen-3-yl)methanol
CID 130127735
2,3-Dihydrothiophen-5-ylmethanol
CID 10953472
(5,5-dimethyl-2H-thiophen-3-yl)methanol
CID 19003454
(2-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 67962819
(3-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 70248689
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(2-Methylsulfanyl-2,3-dihydrothiophen-5-yl)methanol
CID 88890816
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
CID 89139064
2-methyl-3,6-dihydro-2H-thiopyran-6-ol
CID 89410051
[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
CID 89416457
[(2R)-2-cyclopropyl-2,3-dihydrothiophen-5-yl]methanol
CID 90299503
[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
CID 90299717

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol?
The IUPAC name of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol (CID 90956335) is (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol?
The canonical SMILES for (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol is CC1C=C(CO)SC1C.
What is the InChIKey of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol?
The InChIKey is VTCNGDSSHBHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-5-3-7(4-8)9-6(5)2/h3,5-6,8H,4H2,1-2H3.
What are the key properties of (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol?
(2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol has a molecular weight of 144.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2,3-dihydrothiophen-5-yl)methanol is sourced from PubChem (CID 90956335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).