(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one

C16H20O4Si — CID 139068634

IUPAC(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESC[C@@]1(O[Si](C)(C)C)CCc2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C16H20O4Si/c1-16(20-21(2,3)4)10-9-12-14(19-16)11-7-5-6-8-13(11)18-15(12)17/h5-8H,9-10H2,1-4H3/t16-/m1/s1
InChIKeyPNJYVJZYFDRXST-MRXNPFEDSA-N
MW304.42 g/mol
LogP3.69
Rot. Bonds2

About (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one

(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one (PubChem CID 139068634) has the molecular formula C16H20O4Si and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
PubChem CID139068634
Molecular FormulaC16H20O4Si
Molecular Weight304.42 g/mol
Exact Mass304.11
IUPAC Name(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESC[C@@]1(O[Si](C)(C)C)CCc2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C16H20O4Si/c1-16(20-21(2,3)4)10-9-12-14(19-16)11-7-5-6-8-13(11)18-15(12)17/h5-8H,9-10H2,1-4H3/t16-/m1/s1
InChIKeyPNJYVJZYFDRXST-MRXNPFEDSA-N
XLogP3.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522
3-(4-methylphenyl)-2,3,4,5-tetrahydrooxepino[3,2-c]chromen-6-one
CID 14092029
(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
CID 11022018
2,2,4-trimethylpyrano[3,2-c]chromen-5-one
CID 13244741
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
5-chloro-3,3-dimethyl-1,2-dihydropyrano[2,3-c]xanthen-7-one
CID 172638282
(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate
CID 100948123
2H-pyrano[3,2-c]chromen-5-one
CID 14174753
4-ethyl-4-methylpyrano[3,2-c]chromen-5-one
CID 102262126
2-hydroxy-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 71498651
6,6,8-trimethyl-19-oxatetracyclo[9.8.0.03,9.012,17]nonadeca-1(11),2,7,9,12,14,16-heptaen-18-one
CID 142026078

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one?
The IUPAC name of (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one (CID 139068634) is (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one.
What is the SMILES notation for (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one?
The canonical SMILES for (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one is C[C@@]1(O[Si](C)(C)C)CCc2c(c3ccccc3oc2=O)O1.
What is the InChIKey of (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one?
The InChIKey is PNJYVJZYFDRXST-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O4Si/c1-16(20-21(2,3)4)10-9-12-14(19-16)11-7-5-6-8-13(11)18-15(12)17/h5-8H,9-10H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one?
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one has a molecular weight of 304.42 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 139068634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).