(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one

C20H40O3Si — CID 101204227

IUPAC(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
SMILESC/C=C(\C)[C@H](O)[C@H](C)C(=O)C[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-11-16(8)20(22)18(10)19(21)12-17(9)23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-18,20,22H,12H2,1-10H3/b16-11+/t17-,18-,20+/m1/s1
InChIKeyMHYGFXYMKHCMGJ-GOJGATLPSA-N
MW356.62 g/mol
LogP5.49
Rot. Bonds10

About (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one

(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one (PubChem CID 101204227) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one.

Molecular Properties

Compound Name(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
PubChem CID101204227
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
SMILESC/C=C(\C)[C@H](O)[C@H](C)C(=O)C[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-11-16(8)20(22)18(10)19(21)12-17(9)23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-18,20,22H,12H2,1-10H3/b16-11+/t17-,18-,20+/m1/s1
InChIKeyMHYGFXYMKHCMGJ-GOJGATLPSA-N
XLogP5.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

(E,2R,5S,6S)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 101204238
(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride
CID 14084666
5,9,13,17-tetrahydroxy-4,6,8,10,12,14,16,18-octamethylicosa-6,10,14,18-tetraen-3-one
CID 162816603
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
CID 157456186
6-hydroxy-5,7,9-trimethylundeca-7,9-dien-4-one
CID 75298246
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
1-tri(propan-2-yl)silyloxyethanol
CID 87610616
(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide
CID 11824649
(2E,4S,7E)-3-methyl-8-tri(propan-2-yl)silyloxyocta-2,7-dien-4-ol
CID 10267552
[(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
CID 66552943
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222

Frequently Asked Questions

What is the IUPAC name of (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The IUPAC name of (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one (CID 101204227) is (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one.
What is the SMILES notation for (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The canonical SMILES for (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one is C/C=C(\C)[C@H](O)[C@H](C)C(=O)C[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The InChIKey is MHYGFXYMKHCMGJ-GOJGATLPSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-11-16(8)20(22)18(10)19(21)12-17(9)23-24(13(2)3,14(4)5)15(6)7/h11,13-15,17-18,20,22H,12H2,1-10H3/b16-11+/t17-,18-,20+/m1/s1.
What are the key properties of (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
(E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one has a molecular weight of 356.62 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5S,6R)-6-hydroxy-5,7-dimethyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one is sourced from PubChem (CID 101204227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).