3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol

C24H36O4Si — CID 101261617

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol
SMILESC=CCc1c(O)c(CCO[Si](C)(C)C(C)(C)C)cc2c(OC)c(C)c(OC)cc12
InChIInChI=1S/C24H36O4Si/c1-10-11-18-19-15-21(26-6)16(2)23(27-7)20(19)14-17(22(18)25)12-13-28-29(8,9)24(3,4)5/h10,14-15,25H,1,11-13H2,2-9H3
InChIKeyPDEOGCGEVCSPOU-UHFFFAOYSA-N
MW416.63 g/mol
LogP6.16
Rot. Bonds8

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol (PubChem CID 101261617) has the molecular formula C24H36O4Si and a molecular weight of 416.63 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol
PubChem CID101261617
Molecular FormulaC24H36O4Si
Molecular Weight416.63 g/mol
Exact Mass416.24
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol
SMILESC=CCc1c(O)c(CCO[Si](C)(C)C(C)(C)C)cc2c(OC)c(C)c(OC)cc12
InChIInChI=1S/C24H36O4Si/c1-10-11-18-19-15-21(26-6)16(2)23(27-7)20(19)14-17(22(18)25)12-13-28-29(8,9)24(3,4)5/h10,14-15,25H,1,11-13H2,2-9H3
InChIKeyPDEOGCGEVCSPOU-UHFFFAOYSA-N
XLogP6.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 56.16
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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Related Compounds

4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
Lusianthridin
CID 442702
Longistyline C
CID 6446720
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol
CID 50969
3,3'-Dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxybibenzyl
CID 11282492
Cirrhopetalanthin
CID 9982511
2-Methoxy-9,10-Dihydrophenanthrene-4,5-Diol
CID 11506999
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
CID 14630664
Arundinin
CID 102316541
Nudol
CID 158975

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol (CID 101261617) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol is C=CCc1c(O)c(CCO[Si](C)(C)C(C)(C)C)cc2c(OC)c(C)c(OC)cc12.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol?
The InChIKey is PDEOGCGEVCSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4Si/c1-10-11-18-19-15-21(26-6)16(2)23(27-7)20(19)14-17(22(18)25)12-13-28-29(8,9)24(3,4)5/h10,14-15,25H,1,11-13H2,2-9H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol has a molecular weight of 416.63 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7-dimethoxy-6-methyl-1-prop-2-enylnaphthalen-2-ol is sourced from PubChem (CID 101261617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).