3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid

C19H38O5Si — CID 90688188

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
SMILESCC(C)=CC(O)(O)CCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C19H38O5Si/c1-13(2)12-19(22,23)11-10-14(3)16(15(4)17(20)21)24-25(8,9)18(5,6)7/h12,14-16,22-23H,10-11H2,1-9H3,(H,20,21)
InChIKeyVSLJYWAIUPYINO-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.16
Rot. Bonds9

About 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid

3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid (PubChem CID 90688188) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
PubChem CID90688188
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid
SMILESCC(C)=CC(O)(O)CCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C19H38O5Si/c1-13(2)12-19(22,23)11-10-14(3)16(15(4)17(20)21)24-25(8,9)18(5,6)7/h12,14-16,22-23H,10-11H2,1-9H3,(H,20,21)
InChIKeyVSLJYWAIUPYINO-UHFFFAOYSA-N
XLogP4.16
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Strasseriolide B
CID 156582944
(E,3R,4R,6R,10S)-4,6,10-triethyl-3,6-dihydroxy-8-methyltetradec-7-enoic acid
CID 162930736
(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
(2R,3S,4S,6R,7R/S,10R,11R,8E)-3,7,11-Trihydroxy-2,4,6,10-tetramethyltridec-8-enoic acid
CID 9543567
ethyl (E,2S,3S,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-2,4,4,6-tetramethyltetradec-6-enoate
CID 10838207
(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
CID 10991561
4-[(2S,5R,6E,10E,12R,13S)-5-hydroxy-13,14-dimethyl-3,9-dimethylidene-12-tri(propan-2-yl)silyloxypentadeca-6,10,14-trien-2-yl]oxetan-2-one
CID 11455121
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylnon-8-enoic acid
CID 24767554
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
2-[(2S,4R,6S)-6-[(2S)-3-[(2R,3S,6S)-6-[(E,2S)-2-hydroxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-2-methoxypropyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetic acid
CID 134872622
(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

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid (CID 90688188) is 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid is CC(C)=CC(O)(O)CCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid?
The InChIKey is VSLJYWAIUPYINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-13(2)12-19(22,23)11-10-14(3)16(15(4)17(20)21)24-25(8,9)18(5,6)7/h12,14-16,22-23H,10-11H2,1-9H3,(H,20,21).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid has a molecular weight of 374.59 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-7,7-dihydroxy-2,4,9-trimethyldec-8-enoic acid is sourced from PubChem (CID 90688188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).