4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol

C11H22OS — CID 80623256

IUPAC4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)C1CCCS1
InChIInChI=1S/C11H22OS/c1-11(2,3)7-6-9(12)10-5-4-8-13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyAVQAEIPQHUWUKZ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds3

About 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol

4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol (PubChem CID 80623256) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol
PubChem CID80623256
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)C1CCCS1
InChIInChI=1S/C11H22OS/c1-11(2,3)7-6-9(12)10-5-4-8-13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyAVQAEIPQHUWUKZ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898
4-methoxy-1-(thian-2-yl)butan-1-ol
CID 114854963
2-methoxy-1-(thian-2-yl)ethanol
CID 80622694
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345
1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130565162
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
4,4-dimethyl-1-(thiolan-2-yl)pentan-1-one
CID 80621706
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol (CID 80623256) is 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol is CC(C)(C)CCC(O)C1CCCS1.
What is the InChIKey of 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol?
The InChIKey is AVQAEIPQHUWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-11(2,3)7-6-9(12)10-5-4-8-13-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol?
4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol is sourced from PubChem (CID 80623256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).