tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol

C29H46BFO2Si — CID 157285347

IUPACtert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol
SMILESC=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1CO[Si](C)(C)C(C)(C)C.[3H]B(C)F
InChIInChI=1S/C17H28OSi.C11H14O.CH4BF/c1-8-10-16-14(2)11-9-12-15(16)13-18-19(6,7)17(3,4)5;1-3-5-11-9(2)6-4-7-10(11)8-12;1-2-3/h8-9,11-12H,1,10,13H2,2-7H3;3-4,6-7,12H,1,5,8H2,2H3;2H,1H3/i;;2T
InChIKeyBADYMVPGXYKFQN-IRKISQMASA-N
MW486.59 g/mol
LogP7.82
Rot. Bonds8

About tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol

tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol (PubChem CID 157285347) has the molecular formula C29H46BFO2Si and a molecular weight of 486.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol
PubChem CID157285347
Molecular FormulaC29H46BFO2Si
Molecular Weight486.59 g/mol
Exact Mass486.34
IUPAC Nametert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol
SMILESC=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1CO[Si](C)(C)C(C)(C)C.[3H]B(C)F
InChIInChI=1S/C17H28OSi.C11H14O.CH4BF/c1-8-10-16-14(2)11-9-12-15(16)13-18-19(6,7)17(3,4)5;1-3-5-11-9(2)6-4-7-10(11)8-12;1-2-3/h8-9,11-12H,1,10,13H2,2-7H3;3-4,6-7,12H,1,5,8H2,2H3;2H,1H3/i;;2T
InChIKeyBADYMVPGXYKFQN-IRKISQMASA-N
XLogP7.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-benzothiazol-7-yl]methanol
CID 151132328
tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane
CID 15532514
N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide
CID 175702586
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
[(6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 102212834
[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
CID 70249613
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
(2-fluoro-3-prop-2-enylphenyl)methanol
CID 67384125
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol?
The IUPAC name of tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol (CID 157285347) is tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol.
What is the SMILES notation for tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol?
The canonical SMILES for tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol is C=CCc1c(C)cccc1CO.C=CCc1c(C)cccc1CO[Si](C)(C)C(C)(C)C.[3H]B(C)F.
What is the InChIKey of tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol?
The InChIKey is BADYMVPGXYKFQN-IRKISQMASA-N. The full InChI is InChI=1S/C17H28OSi.C11H14O.CH4BF/c1-8-10-16-14(2)11-9-12-15(16)13-18-19(6,7)17(3,4)5;1-3-5-11-9(2)6-4-7-10(11)8-12;1-2-3/h8-9,11-12H,1,10,13H2,2-7H3;3-4,6-7,12H,1,5,8H2,2H3;2H,1H3/i;;2T.
What are the key properties of tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol?
tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol has a molecular weight of 486.59 g/mol, XLogP of 7.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol is sourced from PubChem (CID 157285347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).