[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

C29H41BrO4Si — CID 101161369

IUPAC[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C29H41BrO4Si/c1-21(2)35(22(3)4,23(5)6)34-20-28-29(33-19-24-10-8-7-9-11-24)27(16-17-31-28)32-18-25-12-14-26(30)15-13-25/h7-17,21-23,27-29H,18-20H2,1-6H3/t27-,28-,29+/m1/s1
InChIKeySAIZYLINOFYQHB-NLDZOOGBSA-N
MW561.63 g/mol
LogP8.02
Rot. Bonds12

About [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 101161369) has the molecular formula C29H41BrO4Si and a molecular weight of 561.63 g/mol. Its IUPAC name is [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID101161369
Molecular FormulaC29H41BrO4Si
Molecular Weight561.63 g/mol
Exact Mass560.20
IUPAC Name[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C29H41BrO4Si/c1-21(2)35(22(3)4,23(5)6)34-20-28-29(33-19-24-10-8-7-9-11-24)27(16-17-31-28)32-18-25-12-14-26(30)15-13-25/h7-17,21-23,27-29H,18-20H2,1-6H3/t27-,28-,29+/m1/s1
InChIKeySAIZYLINOFYQHB-NLDZOOGBSA-N
XLogP8.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.63
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran;(2R,4R,5R)-2-[[3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol;[3-phenylmethoxy-4-[(2R,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane;2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 90745856
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
CID 101413374
(4R,5R,6R)-5-phenylmethoxy-4-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-ol
CID 139261347
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 101106919
3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 167068650
(3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 54241237

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (CID 101161369) is [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H]1OC=C[C@@H](OCc2ccc(Br)cc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is SAIZYLINOFYQHB-NLDZOOGBSA-N. The full InChI is InChI=1S/C29H41BrO4Si/c1-21(2)35(22(3)4,23(5)6)34-20-28-29(33-19-24-10-8-7-9-11-24)27(16-17-31-28)32-18-25-12-14-26(30)15-13-25/h7-17,21-23,27-29H,18-20H2,1-6H3/t27-,28-,29+/m1/s1.
What are the key properties of [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
[(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 561.63 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-4-[(4-bromophenyl)methoxy]-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101161369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).