14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one

C23H38O4Si — CID 100982896

IUPAC14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one
SMILESCC1Cc2cc(CO[Si](C)(C)C(C)(C)C)c(o2)CCCC(=O)C2COC(C1)C2
InChIInChI=1S/C23H38O4Si/c1-16-10-19-12-17(14-25-19)21(24)8-7-9-22-18(13-20(11-16)27-22)15-26-28(5,6)23(2,3)4/h13,16-17,19H,7-12,14-15H2,1-6H3
InChIKeyMWQJNIPPHYBUKX-UHFFFAOYSA-N
MW406.64 g/mol
LogP5.68
Rot. Bonds3

About 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one

14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one (PubChem CID 100982896) has the molecular formula C23H38O4Si and a molecular weight of 406.64 g/mol. Its IUPAC name is 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one.

Molecular Properties

Compound Name14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one
PubChem CID100982896
Molecular FormulaC23H38O4Si
Molecular Weight406.64 g/mol
Exact Mass406.25
IUPAC Name14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one
SMILESCC1Cc2cc(CO[Si](C)(C)C(C)(C)C)c(o2)CCCC(=O)C2COC(C1)C2
InChIInChI=1S/C23H38O4Si/c1-16-10-19-12-17(14-25-19)21(24)8-7-9-22-18(13-20(11-16)27-22)15-26-28(5,6)23(2,3)4/h13,16-17,19H,7-12,14-15H2,1-6H3
InChIKeyMWQJNIPPHYBUKX-UHFFFAOYSA-N
XLogP5.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one with MolForge

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Related Compounds

8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethyl-3,4-dihydro-2H-oxepino[3,2-f]indol-5-one
CID 71282247
[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 102212834
(3R,4aR,7S,8R,8aR)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-one
CID 10687324
(2E,5S,9S,11R)-14-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-3-methyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,13-trien-7-one
CID 135722621
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
tert-butyl-dimethyl-(4,5,6,7-tetrahydro-1H-indol-3-ylmethoxy)silane
CID 100940214
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614

Frequently Asked Questions

What is the IUPAC name of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one?
The IUPAC name of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one (CID 100982896) is 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one.
What is the SMILES notation for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one?
The canonical SMILES for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one is CC1Cc2cc(CO[Si](C)(C)C(C)(C)C)c(o2)CCCC(=O)C2COC(C1)C2.
What is the InChIKey of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one?
The InChIKey is MWQJNIPPHYBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4Si/c1-16-10-19-12-17(14-25-19)21(24)8-7-9-22-18(13-20(11-16)27-22)15-26-28(5,6)23(2,3)4/h13,16-17,19H,7-12,14-15H2,1-6H3.
What are the key properties of 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one?
14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one has a molecular weight of 406.64 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),13-dien-9-one is sourced from PubChem (CID 100982896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).