(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one

C18H34O2Si — CID 10979836

IUPAC(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)CC1
InChIInChI=1S/C18H34O2Si/c1-13(2)18(5,6)21(7,8)20-12-15(4)16-10-9-14(3)11-17(16)19/h11,13,15-16H,9-10,12H2,1-8H3/t15-,16+/m1/s1
InChIKeyXQEHJRFPSKWHKP-CVEARBPZSA-N
MW310.55 g/mol
LogP5.21
Rot. Bonds6

About (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one

(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one (PubChem CID 10979836) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
PubChem CID10979836
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)CC1
InChIInChI=1S/C18H34O2Si/c1-13(2)18(5,6)21(7,8)20-12-15(4)16-10-9-14(3)11-17(16)19/h11,13,15-16H,9-10,12H2,1-8H3/t15-,16+/m1/s1
InChIKeyXQEHJRFPSKWHKP-CVEARBPZSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.21
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 (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one (CID 10979836) is (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one is CC1=CC(=O)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C(C)C)CC1.
What is the InChIKey of (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one?
The InChIKey is XQEHJRFPSKWHKP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(2)18(5,6)21(7,8)20-12-15(4)16-10-9-14(3)11-17(16)19/h11,13,15-16H,9-10,12H2,1-8H3/t15-,16+/m1/s1.
What are the key properties of (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one?
(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10979836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).