1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol

C14H22OS2 — CID 115791416

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H22OS2/c1-14(2,3)6-4-11(15)13-8-10-9-16-7-5-12(10)17-13/h8,11,15H,4-7,9H2,1-3H3
InChIKeyPAVPCLXWRVLYTC-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.40
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol (PubChem CID 115791416) has the molecular formula C14H22OS2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
PubChem CID115791416
Molecular FormulaC14H22OS2
Molecular Weight270.46 g/mol
Exact Mass270.11
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H22OS2/c1-14(2,3)6-4-11(15)13-8-10-9-16-7-5-12(10)17-13/h8,11,15H,4-7,9H2,1-3H3
InChIKeyPAVPCLXWRVLYTC-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
CID 114981391
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
CID 81261786
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
CID 115807430
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305244
2-(2-bromophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 114977261
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115822790
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024149
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992831
2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol (CID 115791416) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is PAVPCLXWRVLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS2/c1-14(2,3)6-4-11(15)13-8-10-9-16-7-5-12(10)17-13/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 115791416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).