(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one

C23H46O4Si2 — CID 162820169

IUPAC(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
SMILESC=CCCCCCCCC[C@H]1C[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C23H46O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h8,20-22H,1,9-19H2,2-7H3/t20-,21+,22-/m1/s1
InChIKeyPBTWULIMTCPHSZ-BHIFYINESA-N
MW442.79 g/mol
LogP6.69
Rot. Bonds16

About (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one

(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one (PubChem CID 162820169) has the molecular formula C23H46O4Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
PubChem CID162820169
Molecular FormulaC23H46O4Si2
Molecular Weight442.79 g/mol
Exact Mass442.29
IUPAC Name(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
SMILESC=CCCCCCCCC[C@H]1C[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C23H46O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h8,20-22H,1,9-19H2,2-7H3/t20-,21+,22-/m1/s1
InChIKeyPBTWULIMTCPHSZ-BHIFYINESA-N
XLogP6.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,3-Bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one
CID 162820168
5-Dec-9-enyl-3-(2,3-dimethoxypropyl)oxolan-2-one
CID 162820198
Methyl 2-(5-dec-9-enyl-2-oxooxolan-3-yl)acetate
CID 162820218
5-Dec-9-enyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
CID 162957253
[2-Acetyloxy-3-(5-dec-9-enyl-2-oxooxolan-3-yl)propyl] acetate
CID 163027359
(4R,6S,7S,8R,12R)-12-ethyl-7-methyl-4-[(E)-2-tributylstannylethenyl]-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-oxacyclododecan-2-one
CID 10941869
Ethene;3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione
CID 91233564
Ethene;bis(3-methylpentane);3-(2-trimethylsilyl-3-trimethylsilyloxypentyl)oxolane-2,5-dione
CID 91431028
diethyl (4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,6-bis(ethenyl)octanedioate
CID 11191986
(4S,5R)-5-[(2S)-5,6-dihydroxy-2,6-dimethyl-2-trimethylsilyloxyheptyl]-4-ethenyloxolan-2-one
CID 24754867
ethyl 2-[(2S,3R,5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]but-3-enyl]-3-methyloxolan-2-yl]acetate
CID 25107811
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3-prop-2-enyloxolan-2-one
CID 101776188

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one?
The IUPAC name of (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one (CID 162820169) is (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one.
What is the SMILES notation for (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one?
The canonical SMILES for (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one is C=CCCCCCCCC[C@H]1C[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1.
What is the InChIKey of (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one?
The InChIKey is PBTWULIMTCPHSZ-BHIFYINESA-N. The full InChI is InChI=1S/C23H46O4Si2/c1-8-9-10-11-12-13-14-15-16-21-17-20(23(24)26-21)18-22(27-29(5,6)7)19-25-28(2,3)4/h8,20-22H,1,9-19H2,2-7H3/t20-,21+,22-/m1/s1.
What are the key properties of (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one?
(3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one has a molecular weight of 442.79 g/mol, XLogP of 6.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propyl]-5-dec-9-enyloxolan-2-one is sourced from PubChem (CID 162820169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).