(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one

C20H38O4Si — CID 102385689

IUPAC(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESC=C[C@H](C)[C@@H]1OC(=O)[C@H](OC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C20H38O4Si/c1-11-15(8)17-16(9)18(19(22-10)20(21)23-17)24-25(12(2)3,13(4)5)14(6)7/h11-19H,1H2,2-10H3/t15-,16+,17-,18-,19+/m0/s1
InChIKeyJCMYTHTYDWYTNE-XCDZQEORSA-N
MW370.61 g/mol
LogP4.95
Rot. Bonds8

About (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one

(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one (PubChem CID 102385689) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one
PubChem CID102385689
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESC=C[C@H](C)[C@@H]1OC(=O)[C@H](OC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C20H38O4Si/c1-11-15(8)17-16(9)18(19(22-10)20(21)23-17)24-25(12(2)3,13(4)5)14(6)7/h11-19H,1H2,2-10H3/t15-,16+,17-,18-,19+/m0/s1
InChIKeyJCMYTHTYDWYTNE-XCDZQEORSA-N
XLogP4.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.95
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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Launch Full Analysis

Related Compounds

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
[(3S,4R,5S,6R,7S)-9-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]-6-hydroxy-3-methoxy-5,7-dimethyl-8-oxonon-1-en-4-yl] 2-methoxyacetate
CID 16732247
(3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one
CID 15694409
(3R,5S,6R)-6-[(1R,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one
CID 102532910
methyl 2-[(2R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S,6R)-9-iodo-6-methyl-4-oxonon-8-en-2-yl]oxan-2-yl]acetate
CID 173977071
[(2S,3R)-2-[(Z)-but-2-enyl]oxan-3-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxane-2-carboxylate
CID 10884149
(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11185625
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-5-methyloxan-2-yl]propanoate
CID 11475450
(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 11719238
[(3S,4R,5S,6S,7R)-9-[(4R,5R,6R)-2,2-ditert-butyl-6-ethyl-5-methyl-1,3,2-dioxasilinan-4-yl]-6-hydroxy-3-methoxy-5,7-dimethyl-8-oxonon-1-en-4-yl] 2-methoxyacetate
CID 16732248
[(3R,4R)-4-methylhex-5-en-3-yl] (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-oxoheptanoate
CID 24807199
methyl 2-[(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]acetate
CID 101451496

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The IUPAC name of (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one (CID 102385689) is (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one.
What is the SMILES notation for (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The canonical SMILES for (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one is C=C[C@H](C)[C@@H]1OC(=O)[C@H](OC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C.
What is the InChIKey of (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The InChIKey is JCMYTHTYDWYTNE-XCDZQEORSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-11-15(8)17-16(9)18(19(22-10)20(21)23-17)24-25(12(2)3,13(4)5)14(6)7/h11-19H,1H2,2-10H3/t15-,16+,17-,18-,19+/m0/s1.
What are the key properties of (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one has a molecular weight of 370.61 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one is sourced from PubChem (CID 102385689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).