6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene

C16H22S — CID 173298315

IUPAC6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2ccc(C3CCCC3)cc21
InChIInChI=1S/C16H22S/c1-16(2)9-10-17-15-8-7-13(11-14(15)16)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyWAEMUFOQSSPVSI-UHFFFAOYSA-N
MW246.42 g/mol
LogP5.12
Rot. Bonds1

About 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene

6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene (PubChem CID 173298315) has the molecular formula C16H22S and a molecular weight of 246.42 g/mol. Its IUPAC name is 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
PubChem CID173298315
Molecular FormulaC16H22S
Molecular Weight246.42 g/mol
Exact Mass246.14
IUPAC Name6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2ccc(C3CCCC3)cc21
InChIInChI=1S/C16H22S/c1-16(2)9-10-17-15-8-7-13(11-14(15)16)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyWAEMUFOQSSPVSI-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-3,4-dihydro-2H-1-benzothiepine
CID 19935502
1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117436622
1-(5-cyclohexyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117464165
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785
(2R)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)heptan-1-ol
CID 129388058
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
2,6-dicyclopentylnaphthalene
CID 91354429
2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)terephthalic acid
CID 19834242
6-ethynyl-4,4,7-trimethyl-2,3-dihydrothiochromene
CID 15661128
6-[(4E)-2,6-dimethylhepta-4,6-dien-2-yl]-4,4-dimethyl-2,3-dihydrothiochromene
CID 89309580
2-chloro-4-cyclohexylaniline
CID 18451501
1,3,5-tricyclopentylbenzene
CID 611596

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene?
The IUPAC name of 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene (CID 173298315) is 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene.
What is the SMILES notation for 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene?
The canonical SMILES for 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene is CC1(C)CCSc2ccc(C3CCCC3)cc21.
What is the InChIKey of 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene?
The InChIKey is WAEMUFOQSSPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22S/c1-16(2)9-10-17-15-8-7-13(11-14(15)16)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene?
6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene has a molecular weight of 246.42 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4,4-dimethyl-2,3-dihydrothiochromene is sourced from PubChem (CID 173298315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).