[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate

C30H44O4Si2 — CID 56655331

IUPAC[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate
SMILESC=C1[C@H](OC=O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H44O4Si2/c1-23-26(21-33-35(8,9)29(2,3)4)28(20-27(23)32-22-31)34-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22,26-28H,1,20-21H2,2-9H3/t26-,27+,28+/m0/s1
InChIKeyCWTOBFFTCTUWIT-UPRLRBBYSA-N
MW524.85 g/mol
LogP6.07
Rot. Bonds9

About [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate

[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate (PubChem CID 56655331) has the molecular formula C30H44O4Si2 and a molecular weight of 524.85 g/mol. Its IUPAC name is [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate.

Molecular Properties

Compound Name[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate
PubChem CID56655331
Molecular FormulaC30H44O4Si2
Molecular Weight524.85 g/mol
Exact Mass524.28
IUPAC Name[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate
SMILESC=C1[C@H](OC=O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H44O4Si2/c1-23-26(21-33-35(8,9)29(2,3)4)28(20-27(23)32-22-31)34-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22,26-28H,1,20-21H2,2-9H3/t26-,27+,28+/m0/s1
InChIKeyCWTOBFFTCTUWIT-UPRLRBBYSA-N
XLogP6.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.85
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-formyloxy-2-methylidenecyclopentyl]methyl 4-phenylbenzoate
CID 56655333
tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(3aR,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70653983
[(1S,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-methylidenecyclopentyl] benzoate
CID 56651565
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
2-[(1S,2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]acetaldehyde
CID 11193027

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate?
The IUPAC name of [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate (CID 56655331) is [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate.
What is the SMILES notation for [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate?
The canonical SMILES for [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate is C=C1[C@H](OC=O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate?
The InChIKey is CWTOBFFTCTUWIT-UPRLRBBYSA-N. The full InChI is InChI=1S/C30H44O4Si2/c1-23-26(21-33-35(8,9)29(2,3)4)28(20-27(23)32-22-31)34-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,22,26-28H,1,20-21H2,2-9H3/t26-,27+,28+/m0/s1.
What are the key properties of [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate?
[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate has a molecular weight of 524.85 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate is sourced from PubChem (CID 56655331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).