[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol

C30H42O4Si — CID 171832364

IUPAC[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol
SMILESCOCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)c2ccccc12
InChIInChI=1S/C30H42O4Si/c1-19(2)35(20(3)4,21(5)6)34-24-16-22(7)29(23(8)17-24)30(31)27-14-15-28(33-18-32-9)26-13-11-10-12-25(26)27/h10-17,19-21,30-31H,18H2,1-9H3
InChIKeyRGINVPPRAVCVIP-UHFFFAOYSA-N
MW494.75 g/mol
LogP8.08
Rot. Bonds10

About [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol

[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol (PubChem CID 171832364) has the molecular formula C30H42O4Si and a molecular weight of 494.75 g/mol. Its IUPAC name is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol
PubChem CID171832364
Molecular FormulaC30H42O4Si
Molecular Weight494.75 g/mol
Exact Mass494.29
IUPAC Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol
SMILESCOCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)c2ccccc12
InChIInChI=1S/C30H42O4Si/c1-19(2)35(20(3)4,21(5)6)34-24-16-22(7)29(23(8)17-24)30(31)27-14-15-28(33-18-32-9)26-13-11-10-12-25(26)27/h10-17,19-21,30-31H,18H2,1-9H3
InChIKeyRGINVPPRAVCVIP-UHFFFAOYSA-N
XLogP8.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 58.08
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)naphthalen-1-yl]methanol?
The IUPAC name of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol (CID 171832364) is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol.
What is the SMILES notation for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol?
The canonical SMILES for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol is COCOc1ccc(C(O)c2c(C)cc(O[Si](C(C)C)(C(C)C)C(C)C)cc2C)c2ccccc12.
What is the InChIKey of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol?
The InChIKey is RGINVPPRAVCVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O4Si/c1-19(2)35(20(3)4,21(5)6)34-24-16-22(7)29(23(8)17-24)30(31)27-14-15-28(33-18-32-9)26-13-11-10-12-25(26)27/h10-17,19-21,30-31H,18H2,1-9H3.
What are the key properties of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol?
[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol has a molecular weight of 494.75 g/mol, XLogP of 8.08, 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)naphthalen-1-yl]methanol is sourced from PubChem (CID 171832364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).