(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene

C13H18O — CID 57096256

IUPAC(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene
SMILESCC1=CC(C)(C)OC2=C1[C@H](C)CC=C2
InChIInChI=1S/C13H18O/c1-9-6-5-7-11-12(9)10(2)8-13(3,4)14-11/h5,7-9H,6H2,1-4H3/t9-/m1/s1
InChIKeyLSYFQWIVZMRLDF-SECBINFHSA-N
MW190.29 g/mol
LogP3.59
Rot. Bonds

About (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene

(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene (PubChem CID 57096256) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene.

Molecular Properties

Compound Name(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene
PubChem CID57096256
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene
SMILESCC1=CC(C)(C)OC2=C1[C@H](C)CC=C2
InChIInChI=1S/C13H18O/c1-9-6-5-7-11-12(9)10(2)8-13(3,4)14-11/h5,7-9H,6H2,1-4H3/t9-/m1/s1
InChIKeyLSYFQWIVZMRLDF-SECBINFHSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene?
The IUPAC name of (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene (CID 57096256) is (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene.
What is the SMILES notation for (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene?
The canonical SMILES for (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene is CC1=CC(C)(C)OC2=C1[C@H](C)CC=C2.
What is the InChIKey of (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene?
The InChIKey is LSYFQWIVZMRLDF-SECBINFHSA-N. The full InChI is InChI=1S/C13H18O/c1-9-6-5-7-11-12(9)10(2)8-13(3,4)14-11/h5,7-9H,6H2,1-4H3/t9-/m1/s1.
What are the key properties of (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene?
(5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene has a molecular weight of 190.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4,5-tetramethyl-5,6-dihydrochromene is sourced from PubChem (CID 57096256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).