1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one

C20H38O2Si — CID 10925808

IUPAC1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-13-18(7)20(21)19-11-9-8-10-12-19/h15-17,19H,7-14H2,1-6H3
InChIKeyDDNLLLUEGCRWEJ-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.27
Rot. Bonds9

About 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one

1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one (PubChem CID 10925808) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one
PubChem CID10925808
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one
SMILESC=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-13-18(7)20(21)19-11-9-8-10-12-19/h15-17,19H,7-14H2,1-6H3
InChIKeyDDNLLLUEGCRWEJ-UHFFFAOYSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.27
H-Bond Donors ≤ 50
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

2-Methyl-4-methylidene-6-tri(propan-2-yl)silyloxyhexan-3-one
CID 101029082
5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidenecyclohexyl]pentan-2-one
CID 11012368
3-Methoxy-2-methyl-1-[4-tri(propan-2-yl)silyloxycyclohexyl]prop-2-en-1-one
CID 54412455
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propyl]-2-methylidenecyclopentan-1-one
CID 70152670
4-[(1R,2E,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(methoxymethylidene)cyclohexyl]-3-methylbutan-2-one
CID 9976330
3-[[(1R,2E,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(methoxymethylidene)cyclohexyl]methyl]-4-trimethylsilylbutan-2-one
CID 9980710
3-[[(1R,2E,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(methoxymethylidene)cyclohexyl]methyl]-4-trimethylstannylbutan-2-one
CID 10530273
(4aS,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-9-methylidene-2,3,4,4a,6,7,8,9a-octahydro-1H-benzo[7]annulen-5-one
CID 10935758
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-2-methylidenecyclohexyl]nonan-3-one
CID 54597591
(3S,4R)-3-(Prop-1-en-2-yl)-4-[(trimethylsilyl)oxy]cyclohexan-1-one
CID 71394789
6-Methyl-3-methylidene-1-tri(propan-2-yl)silyloxyheptan-4-one
CID 101029083
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-(2-methylprop-2-enyl)cyclohexan-1-one
CID 101059161

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one?
The IUPAC name of 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one (CID 10925808) is 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one?
The canonical SMILES for 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one is C=C(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one?
The InChIKey is DDNLLLUEGCRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-13-18(7)20(21)19-11-9-8-10-12-19/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one?
1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one has a molecular weight of 338.61 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylidene-4-tri(propan-2-yl)silyloxybutan-1-one is sourced from PubChem (CID 10925808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).