2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol

C11H20O2S — CID 141053059

IUPAC2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol
SMILESCC(C)(CO)CCCC1CC=CS1=O
InChIInChI=1S/C11H20O2S/c1-11(2,9-12)7-3-5-10-6-4-8-14(10)13/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyACRZVXSOLZZXSA-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.21
Rot. Bonds5

About 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol

2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol (PubChem CID 141053059) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol
PubChem CID141053059
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol
SMILESCC(C)(CO)CCCC1CC=CS1=O
InChIInChI=1S/C11H20O2S/c1-11(2,9-12)7-3-5-10-6-4-8-14(10)13/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyACRZVXSOLZZXSA-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-tert-butylsulfinyl-3-ethenylnonan-1-ol
CID 134896567
2-(2-decyl-3H-thiophen-2-yl)ethanol
CID 140241406
2,2-Dimethyl-6-(1-oxo-2,3-dihydrothiophen-2-yl)hexan-1-ol
CID 141053073
3-[3-(3-hydroxypropyl)-2H-thiophen-3-yl]propan-1-ol
CID 142755819
3-Hexyl-2,3-dihydrothiophen-2-ol
CID 143882626
6-(3H-dithiol-3-yl)-2,2-dimethylhexan-1-ol
CID 177947947
7-(3H-dithiol-3-yl)-2,2-dimethylheptan-1-ol
CID 177947948
2-Methyl-2-methylsulfonyldec-9-en-3-ol
CID 107012292

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol (CID 141053059) is 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol is CC(C)(CO)CCCC1CC=CS1=O.
What is the InChIKey of 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol?
The InChIKey is ACRZVXSOLZZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-11(2,9-12)7-3-5-10-6-4-8-14(10)13/h4,8,10,12H,3,5-7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol?
2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol has a molecular weight of 216.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1-oxo-2,3-dihydrothiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 141053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).