tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane

C18H26O3Si — CID 141146350

IUPACtert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC1=C2CCOC1
InChIInChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-14-6-7-16-15-8-9-19-11-13(15)12-20-17(16)10-14/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyBFYGQHKFLJNOJJ-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.64
Rot. Bonds2

About tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane

tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane (PubChem CID 141146350) has the molecular formula C18H26O3Si and a molecular weight of 318.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane
PubChem CID141146350
Molecular FormulaC18H26O3Si
Molecular Weight318.49 g/mol
Exact Mass318.17
IUPAC Nametert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC1=C2CCOC1
InChIInChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-14-6-7-16-15-8-9-19-11-13(15)12-20-17(16)10-14/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyBFYGQHKFLJNOJJ-UHFFFAOYSA-N
XLogP4.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403845
1-[2-[4-[(19S)-5,15-bis[[tert-butyl(dimethyl)silyl]oxy]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]pyrrolidine-2,5-dione
CID 44597102
tert-butyl-[[(19R)-5-[tert-butyl(dimethyl)silyl]oxy-19-[3-(2-iodoethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-15-yl]oxy]-dimethylsilane
CID 44596689
tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
CID 141266666
tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane
CID 69314333
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429
tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane
CID 58602569
tert-butyl-[[(19S)-5-[tert-butyl(dimethyl)silyl]oxy-19-[3-(2-thiomorpholin-4-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-15-yl]oxy]-dimethylsilane
CID 44596998
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
CID 175597081
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane (CID 141146350) is tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC1=C2CCOC1.
What is the InChIKey of tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane?
The InChIKey is BFYGQHKFLJNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-14-6-7-16-15-8-9-19-11-13(15)12-20-17(16)10-14/h6-7,10H,8-9,11-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane?
tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane has a molecular weight of 318.49 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane is sourced from PubChem (CID 141146350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).