(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one

C18H36O2Si — CID 11716597

IUPAC(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
SMILESC=CC[C@@H](CCCC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-18(13-10-12-17(8)19)20-21(14(2)3,15(4)5)16(6)7/h9,14-16,18H,1,10-13H2,2-8H3/t18-/m0/s1
InChIKeyAKPRQVJPDLORMZ-SFHVURJKSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds11

About (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one

(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one (PubChem CID 11716597) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one.

Molecular Properties

Compound Name(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
PubChem CID11716597
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
SMILESC=CC[C@@H](CCCC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-18(13-10-12-17(8)19)20-21(14(2)3,15(4)5)16(6)7/h9,14-16,18H,1,10-13H2,2-8H3/t18-/m0/s1
InChIKeyAKPRQVJPDLORMZ-SFHVURJKSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
CID 11044811
9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(19Z,22R)-22-{[tert-butyl(dimethyl)silyl]oxy}octacos-19-en-11-one
CID 131749544
(E)-7-[diethyl(prop-1-en-2-yl)silyl]oxy-10-hydroxydec-9-en-2-one
CID 140328619
4-Trimethylsilyloxydec-1-ene-1,9-dione
CID 140333709
(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
CID 140736947
(7R,9Z,26Z,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 140736953
1-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dien-5-one
CID 153721307
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977

Frequently Asked Questions

What is the IUPAC name of (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one?
The IUPAC name of (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one (CID 11716597) is (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one.
What is the SMILES notation for (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one?
The canonical SMILES for (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one is C=CC[C@@H](CCCC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one?
The InChIKey is AKPRQVJPDLORMZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-11-18(13-10-12-17(8)19)20-21(14(2)3,15(4)5)16(6)7/h9,14-16,18H,1,10-13H2,2-8H3/t18-/m0/s1.
What are the key properties of (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one?
(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one has a molecular weight of 312.57 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one is sourced from PubChem (CID 11716597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).