(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one

C15H28O2Si — CID 134855536

IUPAC(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
SMILESCC(C)[Si](OC[C@@H]1CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h7,9,11-14H,8,10H2,1-6H3/t14-/m0/s1
InChIKeyCNYXDZGRLXFUEK-AWEZNQCLSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds6

About (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one

(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one (PubChem CID 134855536) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
PubChem CID134855536
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
SMILESCC(C)[Si](OC[C@@H]1CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h7,9,11-14H,8,10H2,1-6H3/t14-/m0/s1
InChIKeyCNYXDZGRLXFUEK-AWEZNQCLSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The IUPAC name of (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one (CID 134855536) is (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one is CC(C)[Si](OC[C@@H]1CC=CC1=O)(C(C)C)C(C)C.
What is the InChIKey of (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
The InChIKey is CNYXDZGRLXFUEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-10-14-8-7-9-15(14)16/h7,9,11-14H,8,10H2,1-6H3/t14-/m0/s1.
What are the key properties of (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one?
(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 134855536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).