methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate

C23H36O3Si — CID 71714778

IUPACmethyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)CC(C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C23H36O3Si/c1-16(2)27(17(3)4,18(5)6)15-21-13-20(19-11-9-8-10-12-19)14-22(26-21)23(24)25-7/h8-12,14,16-18,20-21H,13,15H2,1-7H3
InChIKeyFLJDJWMRWSHOLT-UHFFFAOYSA-N
MW388.62 g/mol
LogP6.29
Rot. Bonds7

About methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate

methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 71714778) has the molecular formula C23H36O3Si and a molecular weight of 388.62 g/mol. Its IUPAC name is methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID71714778
Molecular FormulaC23H36O3Si
Molecular Weight388.62 g/mol
Exact Mass388.24
IUPAC Namemethyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)CC(C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C23H36O3Si/c1-16(2)27(17(3)4,18(5)6)15-21-13-20(19-11-9-8-10-12-19)14-22(26-21)23(24)25-7/h8-12,14,16-18,20-21H,13,15H2,1-7H3
InChIKeyFLJDJWMRWSHOLT-UHFFFAOYSA-N
XLogP6.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.62
LogP ≤ 56.29
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

methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 10759883
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
CID 134847031
(2S,3R,5R)-2-phenyl-5-[tri(propan-2-yl)silylmethyl]oxolan-3-ol
CID 101170907
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
(1R,3R)-5-methoxycarbonyl-3-phenylcyclohept-4-ene-1-carboxylic acid
CID 10588376
methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
CID 103244659
methyl (4aR,5S,8aS)-5-phenyl-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10731155
methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
CID 101123064
methyl (3S,4'R)-4'-phenylspiro[1,4-dihydroisochromene-3,2'-3,4-dihydropyran]-6'-carboxylate
CID 134955043
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102157062
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate (CID 71714778) is methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(c2ccccc2)CC(C[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is FLJDJWMRWSHOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O3Si/c1-16(2)27(17(3)4,18(5)6)15-21-13-20(19-11-9-8-10-12-19)14-22(26-21)23(24)25-7/h8-12,14,16-18,20-21H,13,15H2,1-7H3.
What are the key properties of methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 388.62 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 71714778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).