2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one

C18H34O3Si — CID 139675795

IUPAC2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(O)CC1=O
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-12-10-8-6-7-9-11-15-13-16(19)14-17(15)20/h13,16,19H,6-12,14H2,1-5H3
InChIKeyZCXGBOWPNMOZTA-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.61
Rot. Bonds9

About 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one

2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one (PubChem CID 139675795) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
PubChem CID139675795
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(O)CC1=O
InChIInChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-12-10-8-6-7-9-11-15-13-16(19)14-17(15)20/h13,16,19H,6-12,14H2,1-5H3
InChIKeyZCXGBOWPNMOZTA-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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Related Compounds

(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
(4R)-2-[(Z)-2-bromo-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]-4-methylcyclopent-2-en-1-one
CID 174150579
4-hydroxy-2-(8-methoxy-7-oxooctyl)cyclopent-2-en-1-one
CID 12786171
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
butyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 11133051
(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
CID 10947384
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
(3aR,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 67769546

Frequently Asked Questions

What is the IUPAC name of 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one (CID 139675795) is 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCCCCCC1=CC(O)CC1=O.
What is the InChIKey of 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The InChIKey is ZCXGBOWPNMOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-18(2,3)22(4,5)21-12-10-8-6-7-9-11-15-13-16(19)14-17(15)20/h13,16,19H,6-12,14H2,1-5H3.
What are the key properties of 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-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 2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 139675795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).