(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one

C23H46O5Si2 — CID 11167044

IUPAC(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one
SMILESC/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-17(12-19-14-18(24)15-21(25)27-19)13-20(28-30(10,11)23(5,6)7)16-26-29(8,9)22(2,3)4/h12,18-20,24H,13-16H2,1-11H3/b17-12+/t18-,19-,20+/m1/s1
InChIKeyCYVBULVRCCOSFT-PKFQQNCQSA-N
MW458.79 g/mol
LogP5.80
Rot. Bonds8

About (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one (PubChem CID 11167044) has the molecular formula C23H46O5Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one
PubChem CID11167044
Molecular FormulaC23H46O5Si2
Molecular Weight458.79 g/mol
Exact Mass458.29
IUPAC Name(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one
SMILESC/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O5Si2/c1-17(12-19-14-18(24)15-21(25)27-19)13-20(28-30(10,11)23(5,6)7)16-26-29(8,9)22(2,3)4/h12,18-20,24H,13-16H2,1-11H3/b17-12+/t18-,19-,20+/m1/s1
InChIKeyCYVBULVRCCOSFT-PKFQQNCQSA-N
XLogP5.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4R,6R)-4-methoxy-6-[(1R,2E,4E,6R,8E)-6-methoxy-3-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-2,4,8-trienyl]oxan-2-one
CID 24806291
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
(4R,6R)-4-methoxy-6-[(1S)-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one
CID 57559017
(4R,6R)-4-methoxy-6-[(1R)-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]oxan-2-one
CID 57559046
(3R,4R,6S)-3-[(2E,4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyldeca-2,4,8-trienyl]-6-ethenyl-4-hydroxy-3-methyloxan-2-one
CID 10003826
(3S,4R,6S)-3-[(2E,4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyldeca-2,4,8-trienyl]-6-ethenyl-4-hydroxy-3-methyloxan-2-one
CID 10456342
(4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one
CID 11156312
[(E,4R)-4-[(2R,4R)-4-methoxy-6-oxooxan-2-yl]-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
CID 11453138
(4R,6R)-4-hydroxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
CID 11846596
(4R,6R)-4-methoxy-6-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]oxan-2-one
CID 11846597
(4R,6R)-4-methoxy-6-[(1R,2E,4E,6R,8Z)-6-methoxy-3-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-2,4,8-trienyl]oxan-2-one
CID 24806080
ethyl (6E,8S,9R,10R,11E)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-8-methoxy-12-methyltrideca-6,11-dienoate
CID 102045925

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one (CID 11167044) is (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one is C/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one?
The InChIKey is CYVBULVRCCOSFT-PKFQQNCQSA-N. The full InChI is InChI=1S/C23H46O5Si2/c1-17(12-19-14-18(24)15-21(25)27-19)13-20(28-30(10,11)23(5,6)7)16-26-29(8,9)22(2,3)4/h12,18-20,24H,13-16H2,1-11H3/b17-12+/t18-,19-,20+/m1/s1.
What are the key properties of (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one has a molecular weight of 458.79 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpent-1-enyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 11167044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).