2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

C20H37BrO2Si — CID 68712387

IUPAC2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3
InChIKeyDDXNZUQJXUHJSM-UHFFFAOYSA-N
MW417.50 g/mol
LogP6.48
Rot. Bonds9

About 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 68712387) has the molecular formula C20H37BrO2Si and a molecular weight of 417.50 g/mol. Its IUPAC name is 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID68712387
Molecular FormulaC20H37BrO2Si
Molecular Weight417.50 g/mol
Exact Mass416.17
IUPAC Name2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3
InChIKeyDDXNZUQJXUHJSM-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-methylidene-7-[(2R,6R)-6-prop-2-ynyl-3,6-dihydro-2H-pyran-2-yl]heptanal
CID 25111514
(1E,3S,4S,6E,8S,12S)-13-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-8-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidenetrideca-1,6-dien-4-ol
CID 11479723
(2S,7E,10S,11S,12E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-10-[(4-methoxyphenyl)methoxy]-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dien-6-ol
CID 89311569
(1E,3S,4R,6E,12S)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-13-[(2R,6R)-6-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]-3,6-dihydro-2H-pyran-2-yl]-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidenetrideca-1,6-dien-4-ol
CID 59027005
ethyl (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentanoate
CID 11451580
tert-butyl-diphenyl-[2-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]silane
CID 122400498
(2S,6S)-7-[(2R,6R)-6-but-2-ynyl-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
CID 59105894
(4S)-5-[(2R,6R)-6-(3,3-dibromoprop-2-enyl)-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-1-ol
CID 59026990
tert-butyl-[(2S,4E)-1-[(2S,6R)-2-[(2S,3R)-2-methoxy-3-methyl-4-trimethylsilyloxypent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]-5-methylhepta-4,6-dien-2-yl]oxy-dimethylsilane
CID 134957306
4-[(2R,6R)-2-[(2S,7E,10S,11S,12E)-6,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-10-(phenylsulfanylmethyl)trideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]but-2-ynoxy-tert-butyl-dimethylsilane
CID 89079678
(4S)-4-benzyl-3-[(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2S,6R)-6-[2-(methoxymethoxy)ethyl]-3,6-dihydro-2H-pyran-2-yl]methyl]-4-methylideneheptanoyl]-1,3-oxazolidin-2-one
CID 11029023
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (CID 68712387) is 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is C=C(CBr)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is DDXNZUQJXUHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BrO2Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19H,2,10-15H2,1,3-7H3.
What are the key properties of 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 417.50 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(bromomethyl)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 68712387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).