3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate

C15H29O2Si- — CID 164683732

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C1C=C([O-])CCC1
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h11-12,16H,8-10H2,1-7H3/p-1
InChIKeyRBHVZIXLDXRCSJ-UHFFFAOYSA-M
MW269.48 g/mol
LogP3.83
Rot. Bonds3

About 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate

3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate (PubChem CID 164683732) has the molecular formula C15H29O2Si- and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate
PubChem CID164683732
Molecular FormulaC15H29O2Si-
Molecular Weight269.48 g/mol
Exact Mass269.19
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C1C=C([O-])CCC1
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h11-12,16H,8-10H2,1-7H3/p-1
InChIKeyRBHVZIXLDXRCSJ-UHFFFAOYSA-M
XLogP3.83
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Ethylcyclohexen-1-yl)oxy-trimethylsilane
CID 597987
Trimethyl-[3-(3-methylbut-3-enyl)cyclohexen-1-yl]oxysilane
CID 10490148
Trimethyl-[3-(4-methylpent-3-enyl)cyclohexen-1-yl]oxysilane
CID 10658496
(3-But-3-enylcyclohexen-1-yl)oxy-trimethylsilane
CID 11042390
trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
[(3S)-3-ethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11229389
Trimethyl((2-(4-methylcyclohex-3-en-1-yl)propan-2-yl)oxy)silane
CID 582864
Tert-butyl-(3-but-3-yn-2-ylcyclohexen-1-yl)oxy-dimethylsilane
CID 12079486
(3-Butan-2-ylcyclopenten-1-yl)oxy-trimethylsilane
CID 13739837
Tert-butyl-dimethyl-(3-prop-2-enylcyclohexen-1-yl)oxysilane
CID 15691232
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
[(6R)-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134906626

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate (CID 164683732) is 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate is CC(C)(O[Si](C)(C)C(C)(C)C)C1C=C([O-])CCC1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate?
The InChIKey is RBHVZIXLDXRCSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-15(4,5)12-9-8-10-13(16)11-12/h11-12,16H,8-10H2,1-7H3/p-1.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate?
3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate has a molecular weight of 269.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate is sourced from PubChem (CID 164683732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).