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

C18H34O3Si — CID 139675794

IUPAC(4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](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/t16-/m0/s1
InChIKeyZCXGBOWPNMOZTA-INIZCTEOSA-N
MW326.55 g/mol
LogP4.61
Rot. Bonds9

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

(4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one (PubChem CID 139675794) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
PubChem CID139675794
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](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/t16-/m0/s1
InChIKeyZCXGBOWPNMOZTA-INIZCTEOSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiromastixin
CID 170990064
(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
2-(1-Hydroxyhexyl)cyclopent-2-en-1-one
CID 24865701
4-Hydroxy-2-octyl-2-cyclopentenone
CID 11321783
3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
2-[(1R)-1-hydroxyheptyl]cyclohex-2-en-1-one
CID 11401569
2-[(1R)-1-hydroxypentyl]cyclohex-2-en-1-one
CID 12171583
2-[(1R)-1-hydroxyhexyl]cyclohex-2-en-1-one
CID 12171584
2-[(1R)-1-hydroxyoctyl]cyclohex-2-en-1-one
CID 12171585
2-Hexyl-4-hydroxycyclopent-2-en-1-one
CID 13037870
(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471931

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one (CID 139675794) is (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@H](O)CC1=O.
What is the InChIKey of (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
The InChIKey is ZCXGBOWPNMOZTA-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one?
(4R)-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 (4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 139675794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).