9-tri(propan-2-yl)silyloxynon-1-en-5-one

C18H36O2Si — CID 91062407

IUPAC9-tri(propan-2-yl)silyloxynon-1-en-5-one
SMILESC=CCCC(=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-8-9-12-18(19)13-10-11-14-20-21(15(2)3,16(4)5)17(6)7/h8,15-17H,1,9-14H2,2-7H3
InChIKeyMYPIGUVNHPZAKS-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds12

About 9-tri(propan-2-yl)silyloxynon-1-en-5-one

9-tri(propan-2-yl)silyloxynon-1-en-5-one (PubChem CID 91062407) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 9-tri(propan-2-yl)silyloxynon-1-en-5-one.

Molecular Properties

Compound Name9-tri(propan-2-yl)silyloxynon-1-en-5-one
PubChem CID91062407
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name9-tri(propan-2-yl)silyloxynon-1-en-5-one
SMILESC=CCCC(=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-8-9-12-18(19)13-10-11-14-20-21(15(2)3,16(4)5)17(6)7/h8,15-17H,1,9-14H2,2-7H3
InChIKeyMYPIGUVNHPZAKS-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydec-9-en-5-one
CID 12164695
5-Ethenyl-2-methyl-8-tri(propan-2-yl)silyloxyoctan-4-one
CID 155933850
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
1-[Tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
CID 59412255
1-[Tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
CID 91518681
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
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
6-[Tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
CID 10245032
(10R)-10-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 10637844
(6R)-6-tri(propan-2-yl)silyloxynon-8-en-2-one
CID 11716597

Frequently Asked Questions

What is the IUPAC name of 9-tri(propan-2-yl)silyloxynon-1-en-5-one?
The IUPAC name of 9-tri(propan-2-yl)silyloxynon-1-en-5-one (CID 91062407) is 9-tri(propan-2-yl)silyloxynon-1-en-5-one.
What is the SMILES notation for 9-tri(propan-2-yl)silyloxynon-1-en-5-one?
The canonical SMILES for 9-tri(propan-2-yl)silyloxynon-1-en-5-one is C=CCCC(=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 9-tri(propan-2-yl)silyloxynon-1-en-5-one?
The InChIKey is MYPIGUVNHPZAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-9-12-18(19)13-10-11-14-20-21(15(2)3,16(4)5)17(6)7/h8,15-17H,1,9-14H2,2-7H3.
What are the key properties of 9-tri(propan-2-yl)silyloxynon-1-en-5-one?
9-tri(propan-2-yl)silyloxynon-1-en-5-one has a molecular weight of 312.57 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tri(propan-2-yl)silyloxynon-1-en-5-one is sourced from PubChem (CID 91062407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).