1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone

C15H28O2Si — CID 14979590

IUPAC1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@H]1CC=C([C@@H](O[Si](C)(C)C)C(C)C)CC1
InChIInChI=1S/C15H28O2Si/c1-11(2)15(17-18(4,5)6)14-9-7-13(8-10-14)12(3)16/h9,11,13,15H,7-8,10H2,1-6H3/t13-,15-/m0/s1
InChIKeyAYGCCYRLWVKQPQ-ZFWWWQNUSA-N
MW268.47 g/mol
LogP4.18
Rot. Bonds5

About 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone

1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone (PubChem CID 14979590) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone
PubChem CID14979590
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@H]1CC=C([C@@H](O[Si](C)(C)C)C(C)C)CC1
InChIInChI=1S/C15H28O2Si/c1-11(2)15(17-18(4,5)6)14-9-7-13(8-10-14)12(3)16/h9,11,13,15H,7-8,10H2,1-6H3/t13-,15-/m0/s1
InChIKeyAYGCCYRLWVKQPQ-ZFWWWQNUSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3E,7E,9R,10S,12S,14R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyl-14-propan-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 139037992
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
(3E,7E,9R,10S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyl-14-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 134946549
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
(1R,3E,7E,9R,10S,12R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyl-14-propan-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 137284936
1-(4-Methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 552995
(1S,3E,7E,9R,10S,12S,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethyl-14-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 45103278
Ethanone, 1-[4-methyl-2-[(trimethylsilyl)oxy]-3-cyclohexen-1-yl]-, cis-(+/-)-
CID 91696613
1-[(1S)-4-[(1R)-1-trimethylsilyloxyheptyl]cyclohex-3-en-1-yl]ethanone
CID 101675748
1-[(1S)-4-[(1R)-1-hydroxyheptyl]cyclohex-3-en-1-yl]ethanone
CID 101675758

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone (CID 14979590) is 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone is CC(=O)[C@H]1CC=C([C@@H](O[Si](C)(C)C)C(C)C)CC1.
What is the InChIKey of 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone?
The InChIKey is AYGCCYRLWVKQPQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-11(2)15(17-18(4,5)6)14-9-7-13(8-10-14)12(3)16/h9,11,13,15H,7-8,10H2,1-6H3/t13-,15-/m0/s1.
What are the key properties of 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone?
1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone has a molecular weight of 268.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-[(1S)-2-methyl-1-trimethylsilyloxypropyl]cyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 14979590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).