(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one

C26H32O4Si — CID 102588754

IUPAC(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one
SMILESC=CC1C[C@H]([C@@H]2C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1
InChIInChI=1S/C26H32O4Si/c1-5-20-17-24(30-25(27)29-20)23-16-19(23)18-28-31(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,19-20,23-24H,1,16-18H2,2-4H3/t19-,20?,23+,24+/m0/s1
InChIKeyRLABGZPOLSUSGC-UYEHUZEKSA-N
MW436.62 g/mol
LogP4.68
Rot. Bonds7

About (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one

(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one (PubChem CID 102588754) has the molecular formula C26H32O4Si and a molecular weight of 436.62 g/mol. Its IUPAC name is (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one
PubChem CID102588754
Molecular FormulaC26H32O4Si
Molecular Weight436.62 g/mol
Exact Mass436.21
IUPAC Name(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one
SMILESC=CC1C[C@H]([C@@H]2C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1
InChIInChI=1S/C26H32O4Si/c1-5-20-17-24(30-25(27)29-20)23-16-19(23)18-28-31(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,19-20,23-24H,1,16-18H2,2-4H3/t19-,20?,23+,24+/m0/s1
InChIKeyRLABGZPOLSUSGC-UYEHUZEKSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.68
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

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
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
(3aS,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139025697
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
(1S,2S,3R,5S,6R)-3,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-ol
CID 101191463
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one?
The IUPAC name of (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one (CID 102588754) is (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one.
What is the SMILES notation for (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one?
The canonical SMILES for (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one is C=CC1C[C@H]([C@@H]2C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1.
What is the InChIKey of (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one?
The InChIKey is RLABGZPOLSUSGC-UYEHUZEKSA-N. The full InChI is InChI=1S/C26H32O4Si/c1-5-20-17-24(30-25(27)29-20)23-16-19(23)18-28-31(26(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-15,19-20,23-24H,1,16-18H2,2-4H3/t19-,20?,23+,24+/m0/s1.
What are the key properties of (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one?
(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one has a molecular weight of 436.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one is sourced from PubChem (CID 102588754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).