(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one

C20H40O3Si — CID 101236073

IUPAC(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
SMILESCC[C@@H](/C=C(/C)[C@H](O)CC(C)=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-10-19(11-17(8)20(22)12-18(9)21)13-23-24(14(2)3,15(4)5)16(6)7/h11,14-16,19-20,22H,10,12-13H2,1-9H3/b17-11-/t19-,20+/m0/s1
InChIKeyAONDGBBJJLCXDA-UKDPKUHJSA-N
MW356.62 g/mol
LogP5.49
Rot. Bonds11

About (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one

(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one (PubChem CID 101236073) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one.

Molecular Properties

Compound Name(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
PubChem CID101236073
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
SMILESCC[C@@H](/C=C(/C)[C@H](O)CC(C)=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-10-19(11-17(8)20(22)12-18(9)21)13-23-24(14(2)3,15(4)5)16(6)7/h11,14-16,19-20,22H,10,12-13H2,1-9H3/b17-11-/t19-,20+/m0/s1
InChIKeyAONDGBBJJLCXDA-UKDPKUHJSA-N
XLogP5.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.49
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'}

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Related Compounds

ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate
CID 11846594
ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
CID 101183701
ethyl (4E,6E)-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]deca-4,6-dienoate
CID 134924492
(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
CID 101236071
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492
(4R,5Z,7R)-2-bromo-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylnona-1,5-dien-4-ol
CID 135028667
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
CID 90948310
4-hydroxy-5-methylheptan-2-one
CID 57287974

Frequently Asked Questions

What is the IUPAC name of (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one?
The IUPAC name of (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one (CID 101236073) is (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one.
What is the SMILES notation for (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one?
The canonical SMILES for (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one is CC[C@@H](/C=C(/C)[C@H](O)CC(C)=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one?
The InChIKey is AONDGBBJJLCXDA-UKDPKUHJSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-10-19(11-17(8)20(22)12-18(9)21)13-23-24(14(2)3,15(4)5)16(6)7/h11,14-16,19-20,22H,10,12-13H2,1-9H3/b17-11-/t19-,20+/m0/s1.
What are the key properties of (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one?
(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one has a molecular weight of 356.62 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one is sourced from PubChem (CID 101236073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).