(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene

C15H22OS — CID 57006800

IUPAC(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene
SMILESCCCS[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H22OS/c1-5-9-17-13-8-6-7-12-14(13)11(2)10-15(3,4)16-12/h6-7,10,13H,5,8-9H2,1-4H3/t13-/m1/s1
InChIKeyMDHHICHBAUZSIS-CYBMUJFWSA-N
MW250.41 g/mol
LogP4.47
Rot. Bonds3

About (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene

(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene (PubChem CID 57006800) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene
PubChem CID57006800
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene
SMILESCCCS[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2
InChIInChI=1S/C15H22OS/c1-5-9-17-13-8-6-7-12-14(13)11(2)10-15(3,4)16-12/h6-7,10,13H,5,8-9H2,1-4H3/t13-/m1/s1
InChIKeyMDHHICHBAUZSIS-CYBMUJFWSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene?
The IUPAC name of (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene (CID 57006800) is (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene is CCCS[C@@H]1CC=CC2=C1C(C)=CC(C)(C)O2.
What is the InChIKey of (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene?
The InChIKey is MDHHICHBAUZSIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22OS/c1-5-9-17-13-8-6-7-12-14(13)11(2)10-15(3,4)16-12/h6-7,10,13H,5,8-9H2,1-4H3/t13-/m1/s1.
What are the key properties of (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene?
(5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene has a molecular weight of 250.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4-trimethyl-5-propylsulfanyl-5,6-dihydrochromene is sourced from PubChem (CID 57006800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).