(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one

C13H24O3Si — CID 134968019

IUPAC(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one
SMILESCC(=O)CC[C@H](O)C1(C)C=CC[Si](C)(C)OC1
InChIInChI=1S/C13H24O3Si/c1-11(14)6-7-12(15)13(2)8-5-9-17(3,4)16-10-13/h5,8,12,15H,6-7,9-10H2,1-4H3/t12-,13?/m0/s1
InChIKeyVPGCFBJQRJBZMX-UEWDXFNNSA-N
MW256.42 g/mol
LogP2.51
Rot. Bonds4

About (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one

(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one (PubChem CID 134968019) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one
PubChem CID134968019
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one
SMILESCC(=O)CC[C@H](O)C1(C)C=CC[Si](C)(C)OC1
InChIInChI=1S/C13H24O3Si/c1-11(14)6-7-12(15)13(2)8-5-9-17(3,4)16-10-13/h5,8,12,15H,6-7,9-10H2,1-4H3/t12-,13?/m0/s1
InChIKeyVPGCFBJQRJBZMX-UEWDXFNNSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one?
The IUPAC name of (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one (CID 134968019) is (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one.
What is the SMILES notation for (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one?
The canonical SMILES for (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one is CC(=O)CC[C@H](O)C1(C)C=CC[Si](C)(C)OC1.
What is the InChIKey of (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one?
The InChIKey is VPGCFBJQRJBZMX-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-11(14)6-7-12(15)13(2)8-5-9-17(3,4)16-10-13/h5,8,12,15H,6-7,9-10H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one?
(5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one has a molecular weight of 256.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-(2,2,6-trimethyl-3,7-dihydrooxasilepin-6-yl)pentan-2-one is sourced from PubChem (CID 134968019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).