2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one

C13H24O2Si — CID 11831556

IUPAC2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h11-12,14H,1,5-9H2,2-4H3
InChIKeyFTIMSWNKNOJWKI-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.93
Rot. Bonds4

About 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one

2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one (PubChem CID 11831556) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one
PubChem CID11831556
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h11-12,14H,1,5-9H2,2-4H3
InChIKeyFTIMSWNKNOJWKI-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-3-hydroxy-2-methylidenepentan-1-one
CID 86147822
3-[Cyclohexyl(hydroxy)methyl]but-3-en-2-one
CID 14734071
2-[Cyclohexyl(hydroxy)methyl]prop-2-enoic acid
CID 69907952
3-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylprop-2-enoic acid
CID 70399955
1-[Tert-butyl(dimethyl)silyl]-2-(1-hydroxycyclohexyl)prop-2-en-1-one
CID 10587998
2-(1-Hydroxycyclohexyl)-1-tri(propan-2-yl)silylprop-2-en-1-one
CID 10591078
1-[Tert-butyl(dimethyl)silyl]-3-hydroxy-2-methylideneoctan-1-one
CID 10730793
3-[(S)-cyclohexyl(hydroxy)methyl]but-3-en-2-one
CID 11019502
3-Hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one
CID 15039578
2-[Cyclohexyl(methoxy)methyl]-1-trimethylsilylprop-2-en-1-one
CID 15039584
1-[Tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
CID 15039587
2-[1-Hydroxy-4-(trimethylsilyl)but-2-en-1-yl]cyclohexan-1-one
CID 71328596

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one?
The IUPAC name of 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one (CID 11831556) is 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one?
The canonical SMILES for 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one is C=C(C(=O)[Si](C)(C)C)C(O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one?
The InChIKey is FTIMSWNKNOJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10(13(15)16(2,3)4)12(14)11-8-6-5-7-9-11/h11-12,14H,1,5-9H2,2-4H3.
What are the key properties of 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one?
2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 11831556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).