tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane

C19H34O5Si — CID 11485534

IUPACtert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC/C=C\CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-20-15-14(13)21-17-16(15)22-19(4,5)23-17/h8,10,13-17H,9,11-12H2,1-7H3/b10-8-/t13-,14+,15-,16+,17+/m0/s1
InChIKeyXXPZIHNSOULNKY-FIXMEEBESA-N
MW370.56 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane (PubChem CID 11485534) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane
PubChem CID11485534
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Nametert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC/C=C\CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-20-15-14(13)21-17-16(15)22-19(4,5)23-17/h8,10,13-17H,9,11-12H2,1-7H3/b10-8-/t13-,14+,15-,16+,17+/m0/s1
InChIKeyXXPZIHNSOULNKY-FIXMEEBESA-N
XLogP3.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

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CID 46928637
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012466
(2S)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012467
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,1R,4R)-5-(1,3-dioxolan-2-yl)-1-(methoxymethoxy)-4-methylpent-2-enyl]oxolan-2-yl]methanol
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tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
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tert-butyl-[[(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10793136
tert-butyl-[(Z,1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-enoxy]-dimethylsilane
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[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
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2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
CID 10510109
tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
CID 10533620

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane (CID 11485534) is tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane is CC1(C)O[C@H]2O[C@H]3[C@H](OC/C=C\CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane?
The InChIKey is XXPZIHNSOULNKY-FIXMEEBESA-N. The full InChI is InChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-20-15-14(13)21-17-16(15)22-19(4,5)23-17/h8,10,13-17H,9,11-12H2,1-7H3/b10-8-/t13-,14+,15-,16+,17+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane has a molecular weight of 370.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11485534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).