(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one

C19H38O3Si — CID 101204271

IUPAC(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
SMILESC/C=C/[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)16(8)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17+,18-/m1/s1
InChIKeyMFLOXZYDUZLDMG-CAIRHXIQSA-N
MW342.60 g/mol
LogP4.96
Rot. Bonds10

About (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one

(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one (PubChem CID 101204271) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one.

Molecular Properties

Compound Name(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
PubChem CID101204271
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
SMILESC/C=C/[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)16(8)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17+,18-/m1/s1
InChIKeyMFLOXZYDUZLDMG-CAIRHXIQSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one 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

(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
CID 11376118
(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol
CID 11843752
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol
CID 11844710
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 14760943
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid
CID 173238489
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
CID 101236073
(E,3R,4S,5R)-3,5-dihydroxy-4-methyloct-6-enoic acid
CID 163050810

Frequently Asked Questions

What is the IUPAC name of (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The IUPAC name of (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one (CID 101204271) is (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one.
What is the SMILES notation for (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The canonical SMILES for (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one is C/C=C/[C@@H](O)[C@H](C)C(=O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
The InChIKey is MFLOXZYDUZLDMG-CAIRHXIQSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)16(8)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17+,18-/m1/s1.
What are the key properties of (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one?
(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one has a molecular weight of 342.60 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one is sourced from PubChem (CID 101204271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).