(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran

C15H20OS — CID 15227553

IUPAC(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](CSc2ccccc2)CC=C1C
InChIInChI=1S/C15H20OS/c1-3-15-12(2)9-10-13(16-15)11-17-14-7-5-4-6-8-14/h4-9,13,15H,3,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyXCTZXBNZIOMYLB-UKRRQHHQSA-N
MW248.39 g/mol
LogP4.29
Rot. Bonds4

About (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran

(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran (PubChem CID 15227553) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran
PubChem CID15227553
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](CSc2ccccc2)CC=C1C
InChIInChI=1S/C15H20OS/c1-3-15-12(2)9-10-13(16-15)11-17-14-7-5-4-6-8-14/h4-9,13,15H,3,10-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyXCTZXBNZIOMYLB-UKRRQHHQSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 271506
1-Butoxy-2-phenylmercaptoethane
CID 271491
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
CID 135077081
[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
[(2E,6E,10E,14E,18E,22E)-1-(fluoromethoxy)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-13-yl]sulfanylbenzene
CID 58409855
[1-(Fluoromethoxy)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-13-yl]sulfanylbenzene
CID 76779019
1-Fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propylsulfanyl]benzene
CID 88239513
(4-Methoxy-3,5-dimethylcyclohexa-2,4-dien-1-yl)-phenyl-(trifluoromethyl)sulfanium
CID 140641926
5-Ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
1-Fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
CID 150256500

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran (CID 15227553) is (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran is CC[C@H]1O[C@@H](CSc2ccccc2)CC=C1C.
What is the InChIKey of (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran?
The InChIKey is XCTZXBNZIOMYLB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20OS/c1-3-15-12(2)9-10-13(16-15)11-17-14-7-5-4-6-8-14/h4-9,13,15H,3,10-11H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran?
(2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran has a molecular weight of 248.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 15227553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).