(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid

C25H52O5Si2 — CID 10791186

IUPAC(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid
SMILESCO[C@@H](C[C@H](CC[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O5Si2/c1-19(16-17-29-31(10,11)24(3,4)5)22(28-9)18-21(15-14-20(2)23(26)27)30-32(12,13)25(6,7)8/h16,20-22H,14-15,17-18H2,1-13H3,(H,26,27)/b19-16+/t20-,21+,22+/m1/s1
InChIKeyYNFDTCLTBJFXCQ-OSOZDUDHSA-N
MW488.86 g/mol
LogP7.25
Rot. Bonds13

About (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid

(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid (PubChem CID 10791186) has the molecular formula C25H52O5Si2 and a molecular weight of 488.86 g/mol. Its IUPAC name is (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid.

Molecular Properties

Compound Name(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid
PubChem CID10791186
Molecular FormulaC25H52O5Si2
Molecular Weight488.86 g/mol
Exact Mass488.34
IUPAC Name(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid
SMILESCO[C@@H](C[C@H](CC[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O5Si2/c1-19(16-17-29-31(10,11)24(3,4)5)22(28-9)18-21(15-14-20(2)23(26)27)30-32(12,13)25(6,7)8/h16,20-22H,14-15,17-18H2,1-13H3,(H,26,27)/b19-16+/t20-,21+,22+/m1/s1
InChIKeyYNFDTCLTBJFXCQ-OSOZDUDHSA-N
XLogP7.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.86
LogP ≤ 57.25
H-Bond Donors ≤ 51
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

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-2-hydroxy-4-methylpent-3-enyl]-3,5-dimethyloxan-2-one
CID 11291256
ethyl (E,2S,3S,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4,4,6-tetramethyltetradec-6-enoate
CID 10838207
(6S,7R,8S,9R,10R,11E,14R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethenyl-10-methoxy-7,9,12-trimethyl-1-oxacyclotetradec-11-ene-2,4-dione
CID 11490144
ethyl (E,3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2,4,6-tetramethyloct-6-enoate
CID 71601426
ethyl (E,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2,4,6-tetramethyloct-6-enoate
CID 102104116
(6S,7S,9E,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-[(E,2S,7S,9R)-7,9-dihydroxy-4-methyldec-4-en-2-yl]-7,9-dimethyl-1-oxacyclododec-9-en-2-one
CID 134937172
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-3-enyl]-3,5-dimethyloxan-2-one
CID 59891874
(2R,3S,4S,5R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
CID 88043976
(2R,3S,4S,5R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxy-2,4,9-trimethyldec-8-enoic acid
CID 88044579
(3S,4S,5R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
CID 88061722
3-[Tert-butyl(dimethyl)silyl]oxy-5,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
CID 88061723
3-[Tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
CID 90688188

Frequently Asked Questions

What is the IUPAC name of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid?
The IUPAC name of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid (CID 10791186) is (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid.
What is the SMILES notation for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid?
The canonical SMILES for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid is CO[C@@H](C[C@H](CC[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid?
The InChIKey is YNFDTCLTBJFXCQ-OSOZDUDHSA-N. The full InChI is InChI=1S/C25H52O5Si2/c1-19(16-17-29-31(10,11)24(3,4)5)22(28-9)18-21(15-14-20(2)23(26)27)30-32(12,13)25(6,7)8/h16,20-22H,14-15,17-18H2,1-13H3,(H,26,27)/b19-16+/t20-,21+,22+/m1/s1.
What are the key properties of (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid?
(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid has a molecular weight of 488.86 g/mol, XLogP of 7.25, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enoic acid is sourced from PubChem (CID 10791186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).