2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one

C18H34O4Si — CID 57179024

IUPAC2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(CCCCCCC1=CCCC1=O)C(O)CO
InChIInChI=1S/C18H34O4Si/c1-23(2,3)22-14-16(18(21)13-19)10-7-5-4-6-9-15-11-8-12-17(15)20/h11,16,18-19,21H,4-10,12-14H2,1-3H3
InChIKeyITOYHIDYAYSDIB-UHFFFAOYSA-N
MW342.55 g/mol
LogP3.44
Rot. Bonds12

About 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one

2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one (PubChem CID 57179024) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one
PubChem CID57179024
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(CCCCCCC1=CCCC1=O)C(O)CO
InChIInChI=1S/C18H34O4Si/c1-23(2,3)22-14-16(18(21)13-19)10-7-5-4-6-9-15-11-8-12-17(15)20/h11,16,18-19,21H,4-10,12-14H2,1-3H3
InChIKeyITOYHIDYAYSDIB-UHFFFAOYSA-N
XLogP3.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylhexyl)cyclopent-2-en-1-one
CID 22603841
2-hexylcyclopent-2-en-1-one;pentan-2-one
CID 175311554
2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one
CID 15782202
2-(5-oxocyclopenten-1-yl)ethyl acetate
CID 13075020
2-heptylcyclohex-2-en-1-one
CID 24972401
2-(2-aminoethyl)cyclopent-2-en-1-one
CID 163946326
ethyl 8-(6-oxocyclohexen-1-yl)octanoate
CID 21403262
2-(aminomethyl)cyclopent-2-en-1-one
CID 54565407
2-amino-3-trimethylsilyloxypropan-1-ol
CID 130579064
3-propylnonane-1,2-diol
CID 142914720
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
2-[7-(oxan-2-yloxy)heptyl]cyclohex-2-en-1-one
CID 57214716

Frequently Asked Questions

What is the IUPAC name of 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one (CID 57179024) is 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one is C[Si](C)(C)OCC(CCCCCCC1=CCCC1=O)C(O)CO.
What is the InChIKey of 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one?
The InChIKey is ITOYHIDYAYSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-23(2,3)22-14-16(18(21)13-19)10-7-5-4-6-9-15-11-8-12-17(15)20/h11,16,18-19,21H,4-10,12-14H2,1-3H3.
What are the key properties of 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one?
2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one has a molecular weight of 342.55 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8,9-dihydroxy-7-(trimethylsilyloxymethyl)nonyl]cyclopent-2-en-1-one is sourced from PubChem (CID 57179024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).