[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane

C31H43NO3Si — CID 102150868

IUPAC[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CCCN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]1/C=C/C
InChIInChI=1S/C31H43NO3Si/c1-8-10-22-32-26(17-9-2)28-29(35-31(6,7)34-28)27(32)23-33-36(30(3,4)5,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h8-9,11-21,26-29H,1,10,22-23H2,2-7H3/b17-9+/t26-,27+,28-,29+/m0/s1
InChIKeyXIGIXVCZEAOBKX-IZSQZGBDSA-N
MW505.78 g/mol
LogP5.29
Rot. Bonds9

About [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 102150868) has the molecular formula C31H43NO3Si and a molecular weight of 505.78 g/mol. Its IUPAC name is [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID102150868
Molecular FormulaC31H43NO3Si
Molecular Weight505.78 g/mol
Exact Mass505.30
IUPAC Name[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CCCN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]1/C=C/C
InChIInChI=1S/C31H43NO3Si/c1-8-10-22-32-26(17-9-2)28-29(35-31(6,7)34-28)27(32)23-33-36(30(3,4)5,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h8-9,11-21,26-29H,1,10,22-23H2,2-7H3/b17-9+/t26-,27+,28-,29+/m0/s1
InChIKeyXIGIXVCZEAOBKX-IZSQZGBDSA-N
XLogP5.29
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-6-[(2S,4R)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-enoxy]-diphenylsilane
CID 101584152
4H-1,3-Dioxolo[4,5-c]pyrrole, 4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aR,4R,6aS)-
CID 45358732
tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
CID 67033581
[(4R)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 90075215
[(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 170556670
[(1R)-1-[(3aR,4S,6aS)-5-benzhydryl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 10553227
[(3aR,4S,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 10667338
[(1S)-1-[(3aS,4S,6aR)-5-benzhydryl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 10767486
[(3aS,4R,6aR)-5-benzhydryl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 10837400
tert-butyl (3aR,4R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 16069461
tert-butyl (3aR,4R,6R,6aS)-6-but-3-enyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 25023184
tert-butyl (3aR,4R,6S,6aS)-6-but-3-enyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 25023241

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane (CID 102150868) is [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane is C=CCCN1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]1/C=C/C.
What is the InChIKey of [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is XIGIXVCZEAOBKX-IZSQZGBDSA-N. The full InChI is InChI=1S/C31H43NO3Si/c1-8-10-22-32-26(17-9-2)28-29(35-31(6,7)34-28)27(32)23-33-36(30(3,4)5,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h8-9,11-21,26-29H,1,10,22-23H2,2-7H3/b17-9+/t26-,27+,28-,29+/m0/s1.
What are the key properties of [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 505.78 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6R,6aR)-5-but-3-enyl-2,2-dimethyl-4-[(E)-prop-1-enyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 102150868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).