tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane

C30H42O3Si — CID 166561282

IUPACtert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42O3Si/c1-30(2,3)34(27-16-8-4-9-17-27,28-18-10-5-11-19-28)33-24-26-23-25(26)15-7-6-13-21-31-29-20-12-14-22-32-29/h4-11,16-19,25-26,29H,12-15,20-24H2,1-3H3/b7-6-/t25-,26-,29?/m0/s1
InChIKeyLZTQWXPLTRVECH-SUMRKYNFSA-N
MW478.75 g/mol
LogP6.08
Rot. Bonds11

About tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane

tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane (PubChem CID 166561282) has the molecular formula C30H42O3Si and a molecular weight of 478.75 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
PubChem CID166561282
Molecular FormulaC30H42O3Si
Molecular Weight478.75 g/mol
Exact Mass478.29
IUPAC Nametert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42O3Si/c1-30(2,3)34(27-16-8-4-9-17-27,28-18-10-5-11-19-28)33-24-26-23-25(26)15-7-6-13-21-31-29-20-12-14-22-32-29/h4-11,16-19,25-26,29H,12-15,20-24H2,1-3H3/b7-6-/t25-,26-,29?/m0/s1
InChIKeyLZTQWXPLTRVECH-SUMRKYNFSA-N
XLogP6.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
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tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
CID 10602504
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
[(1R,2S,3R,4R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(Z)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate
CID 67797043
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466
CID 101368247
CID 101368247
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2S,3R,4R,5R)-7-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[2-(oxan-2-yloxy)ethyl]-5-tri(propan-2-yl)silyloxyheptane-1,3-diol
CID 135836143
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane (CID 166561282) is tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@H]1C/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane?
The InChIKey is LZTQWXPLTRVECH-SUMRKYNFSA-N. The full InChI is InChI=1S/C30H42O3Si/c1-30(2,3)34(27-16-8-4-9-17-27,28-18-10-5-11-19-28)33-24-26-23-25(26)15-7-6-13-21-31-29-20-12-14-22-32-29/h4-11,16-19,25-26,29H,12-15,20-24H2,1-3H3/b7-6-/t25-,26-,29?/m0/s1.
What are the key properties of tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane has a molecular weight of 478.75 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane is sourced from PubChem (CID 166561282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).