6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran

C15H18OS — CID 71395626

IUPAC6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran
SMILESCC1(C)CC(C=CSc2ccccc2)=CCO1
InChIInChI=1S/C15H18OS/c1-15(2)12-13(8-10-16-15)9-11-17-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3
InChIKeyPPYDADFTAPOUKG-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.42
Rot. Bonds3

About 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran

6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran (PubChem CID 71395626) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran.

Molecular Properties

Compound Name6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran
PubChem CID71395626
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran
SMILESCC1(C)CC(C=CSc2ccccc2)=CCO1
InChIInChI=1S/C15H18OS/c1-15(2)12-13(8-10-16-15)9-11-17-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3
InChIKeyPPYDADFTAPOUKG-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran?
The IUPAC name of 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran (CID 71395626) is 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran.
What is the SMILES notation for 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran?
The canonical SMILES for 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran is CC1(C)CC(C=CSc2ccccc2)=CCO1.
What is the InChIKey of 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran?
The InChIKey is PPYDADFTAPOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-15(2)12-13(8-10-16-15)9-11-17-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran?
6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran has a molecular weight of 246.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(2-phenylsulfanylethenyl)-2,5-dihydropyran is sourced from PubChem (CID 71395626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).