tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane

C21H44OSi2 — CID 11406012

IUPACtert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane
SMILESC=C1[C@H]([Si](C)(C)C)C[C@@H](C(C)C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44OSi2/c1-16(2)18-15-19(23(8,9)10)17(3)21(18,7)13-14-22-24(11,12)20(4,5)6/h16,18-19H,3,13-15H2,1-2,4-12H3/t18-,19+,21+/m0/s1
InChIKeyCYNCRGFDUAWZDQ-QKNQBKEWSA-N
MW368.75 g/mol
LogP7.35
Rot. Bonds6

About tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane

tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane (PubChem CID 11406012) has the molecular formula C21H44OSi2 and a molecular weight of 368.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane
PubChem CID11406012
Molecular FormulaC21H44OSi2
Molecular Weight368.75 g/mol
Exact Mass368.29
IUPAC Nametert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane
SMILESC=C1[C@H]([Si](C)(C)C)C[C@@H](C(C)C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44OSi2/c1-16(2)18-15-19(23(8,9)10)17(3)21(18,7)13-14-22-24(11,12)20(4,5)6/h16,18-19H,3,13-15H2,1-2,4-12H3/t18-,19+,21+/m0/s1
InChIKeyCYNCRGFDUAWZDQ-QKNQBKEWSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.75
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
CID 178270073
CID 178270073
tert-butyl-dimethyl-[[(1R,2R,6S)-6,9,9-trimethyl-8-methylidene-2-bicyclo[4.2.1]nonanyl]oxy]silane
CID 10335466
tert-butyl-dimethyl-[[(1R)-1,2,3-trimethyl-4-methylidenecyclopentyl]methoxy]silane
CID 54360617
tert-butyl-dimethyl-[[(1R,2S)-2-methyl-3-methylidenecyclopentyl]methoxy]silane
CID 59483035
tert-butyl-[[(1R,2R)-2,3-dimethyl-4-methylidenecyclopentyl]methoxy]-dimethylsilane
CID 59483134
tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane
CID 59483150
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
CID 59678391
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S,3S,5R)-3,5-dimethyl-2-prop-2-enylcyclopentyl]octan-3-yl]oxy-dimethylsilane
CID 68010316
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane (CID 11406012) is tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane is C=C1[C@H]([Si](C)(C)C)C[C@@H](C(C)C)[C@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane?
The InChIKey is CYNCRGFDUAWZDQ-QKNQBKEWSA-N. The full InChI is InChI=1S/C21H44OSi2/c1-16(2)18-15-19(23(8,9)10)17(3)21(18,7)13-14-22-24(11,12)20(4,5)6/h16,18-19H,3,13-15H2,1-2,4-12H3/t18-,19+,21+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane?
tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane has a molecular weight of 368.75 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane is sourced from PubChem (CID 11406012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).