4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one

C18H34O3Si — CID 20513649

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCCO
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-17-14-16(20)13-15(17)11-9-7-6-8-10-12-19/h13,17,19H,6-12,14H2,1-5H3
InChIKeyWANMPPRGIZBMJE-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.61
Rot. Bonds9

About 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one (PubChem CID 20513649) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
PubChem CID20513649
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCCO
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-17-14-16(20)13-15(17)11-9-7-6-8-10-12-19/h13,17,19H,6-12,14H2,1-5H3
InChIKeyWANMPPRGIZBMJE-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one (CID 20513649) is 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1CC(=O)C=C1CCCCCCCO.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one?
The InChIKey is WANMPPRGIZBMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-17-14-16(20)13-15(17)11-9-7-6-8-10-12-19/h13,17,19H,6-12,14H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one has a molecular weight of 326.55 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one is sourced from PubChem (CID 20513649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).