[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol

C27H42O4Si — CID 25149324

IUPAC[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol
SMILESCOCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)cc1C
InChIInChI=1S/C27H42O4Si/c1-17(2)32(18(3)4,19(5)6)31-24-14-21(8)26(22(9)15-24)27(28)23-11-12-25(20(7)13-23)30-16-29-10/h11-15,17-19,27-28H,16H2,1-10H3
InChIKeyLNPLSGAHJMKSAG-UHFFFAOYSA-N
MW458.72 g/mol
LogP7.23
Rot. Bonds10

About [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol

[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol (PubChem CID 25149324) has the molecular formula C27H42O4Si and a molecular weight of 458.72 g/mol. Its IUPAC name is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol
PubChem CID25149324
Molecular FormulaC27H42O4Si
Molecular Weight458.72 g/mol
Exact Mass458.29
IUPAC Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol
SMILESCOCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)cc1C
InChIInChI=1S/C27H42O4Si/c1-17(2)32(18(3)4,19(5)6)31-24-14-21(8)26(22(9)15-24)27(28)23-11-12-25(20(7)13-23)30-16-29-10/h11-15,17-19,27-28H,16H2,1-10H3
InChIKeyLNPLSGAHJMKSAG-UHFFFAOYSA-N
XLogP7.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol?
The IUPAC name of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol (CID 25149324) is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol?
The canonical SMILES for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol is COCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)cc1C.
What is the InChIKey of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol?
The InChIKey is LNPLSGAHJMKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O4Si/c1-17(2)32(18(3)4,19(5)6)31-24-14-21(8)26(22(9)15-24)27(28)23-11-12-25(20(7)13-23)30-16-29-10/h11-15,17-19,27-28H,16H2,1-10H3.
What are the key properties of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol?
[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol has a molecular weight of 458.72 g/mol, XLogP of 7.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 25149324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).