[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol

C22H32O4Si — CID 12982392

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol
SMILESC=CCc1c(CO)cc2c(OC)cc(OC)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H32O4Si/c1-9-10-17-15(14-23)11-18-19(12-16(24-5)13-20(18)25-6)21(17)26-27(7,8)22(2,3)4/h9,11-13,23H,1,10,14H2,2-8H3
InChIKeyLYSGKCZKFTUBFX-UHFFFAOYSA-N
MW388.58 g/mol
LogP5.46
Rot. Bonds7

About [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol

[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol (PubChem CID 12982392) has the molecular formula C22H32O4Si and a molecular weight of 388.58 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol
PubChem CID12982392
Molecular FormulaC22H32O4Si
Molecular Weight388.58 g/mol
Exact Mass388.21
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol
SMILESC=CCc1c(CO)cc2c(OC)cc(OC)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H32O4Si/c1-9-10-17-15(14-23)11-18-19(12-16(24-5)13-20(18)25-6)21(17)26-27(7,8)22(2,3)4/h9,11-13,23H,1,10,14H2,2-8H3
InChIKeyLYSGKCZKFTUBFX-UHFFFAOYSA-N
XLogP5.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol (CID 12982392) is [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol is C=CCc1c(CO)cc2c(OC)cc(OC)cc2c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol?
The InChIKey is LYSGKCZKFTUBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4Si/c1-9-10-17-15(14-23)11-18-19(12-16(24-5)13-20(18)25-6)21(17)26-27(7,8)22(2,3)4/h9,11-13,23H,1,10,14H2,2-8H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol?
[4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol has a molecular weight of 388.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethoxy-3-prop-2-enylnaphthalen-2-yl]methanol is sourced from PubChem (CID 12982392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).