(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one

C12H24O3Si — CID 138963620

IUPAC(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1C(=O)CC[C@@H]1O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-9-10(13)6-7-11(9)14/h9-10,13H,6-8H2,1-5H3/t9?,10-/m0/s1
InChIKeyMIIRGLXVNBNREZ-AXDSSHIGSA-N
MW244.41 g/mol
LogP2.35
Rot. Bonds3

About (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one

(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one (PubChem CID 138963620) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one
PubChem CID138963620
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1C(=O)CC[C@@H]1O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-9-10(13)6-7-11(9)14/h9-10,13H,6-8H2,1-5H3/t9?,10-/m0/s1
InChIKeyMIIRGLXVNBNREZ-AXDSSHIGSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one?
The IUPAC name of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one (CID 138963620) is (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one.
What is the SMILES notation for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one?
The canonical SMILES for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one is CC(C)(C)[Si](C)(C)OCC1C(=O)CC[C@@H]1O.
What is the InChIKey of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one?
The InChIKey is MIIRGLXVNBNREZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-9-10(13)6-7-11(9)14/h9-10,13H,6-8H2,1-5H3/t9?,10-/m0/s1.
What are the key properties of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one?
(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one has a molecular weight of 244.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxycyclopentan-1-one is sourced from PubChem (CID 138963620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).