tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane

C22H42O3Si — CID 10786170

IUPACtert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane
SMILESC=CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C22H42O3Si/c1-10-11-18-14-19(25-26(8,9)21(5,6)7)15-22(23-18)13-12-17(4)20(24-22)16(2)3/h10,16-20H,1,11-15H2,2-9H3/t17-,18+,19-,20+,22+/m0/s1
InChIKeyLVXKPVVEFWEZBL-DNVBULBTSA-N
MW382.66 g/mol
LogP6.30
Rot. Bonds5

About tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane

tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane (PubChem CID 10786170) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane
PubChem CID10786170
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane
SMILESC=CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C22H42O3Si/c1-10-11-18-14-19(25-26(8,9)21(5,6)7)15-22(23-18)13-12-17(4)20(24-22)16(2)3/h10,16-20H,1,11-15H2,2-9H3/t17-,18+,19-,20+,22+/m0/s1
InChIKeyLVXKPVVEFWEZBL-DNVBULBTSA-N
XLogP6.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
CID 10500136
tert-butyl-[[(3S,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,9-trimethyl-2-methylidene-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11156528
tert-butyl-[[(2R,3S,6S,8R,9S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749544
tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
CID 71490156
CID 134846314
CID 134846314
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane
CID 134850483
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
tert-butyl-[(E,2R,3R)-1-(2,6-dimethoxyoxan-4-yl)-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
CID 134922656
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
tert-butyl-[[(2R,3S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940742
tert-butyl-[[(4S,6R,8S,10R,13S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-10-prop-2-enyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]-dimethylsilane
CID 135053802

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane (CID 10786170) is tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane is C=CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane?
The InChIKey is LVXKPVVEFWEZBL-DNVBULBTSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-10-11-18-14-19(25-26(8,9)21(5,6)7)15-22(23-18)13-12-17(4)20(24-22)16(2)3/h10,16-20H,1,11-15H2,2-9H3/t17-,18+,19-,20+,22+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane?
tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane has a molecular weight of 382.66 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane is sourced from PubChem (CID 10786170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).