5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one

C16H30O2Si — CID 554858

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(=O)C1
InChIInChI=1S/C16H30O2Si/c1-12-8-9-14(10-15(12)17)13(2)11-18-19(6,7)16(3,4)5/h12,14H,2,8-11H2,1,3-7H3
InChIKeyDHAOFZALDMADNY-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds4

About 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one

5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one (PubChem CID 554858) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one
PubChem CID554858
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(=O)C1
InChIInChI=1S/C16H30O2Si/c1-12-8-9-14(10-15(12)17)13(2)11-18-19(6,7)16(3,4)5/h12,14H,2,8-11H2,1,3-7H3
InChIKeyDHAOFZALDMADNY-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
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

2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
CID 46837534
2-[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
CID 164676287
5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidenecyclohexyl]pentan-2-one
CID 11012368
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexan-1-one
CID 67765227
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
(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 10858982
1-[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-methylidenecyclohexyl]-3-methylbutan-2-one
CID 11089062
2-[(1S,3R)-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetaldehyde
CID 11162698
2-[(1S,3R,5R)-5-methyl-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetaldehyde
CID 11198127
(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 11808160

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one (CID 554858) is 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one is C=C(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(=O)C1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one?
The InChIKey is DHAOFZALDMADNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-8-9-14(10-15(12)17)13(2)11-18-19(6,7)16(3,4)5/h12,14H,2,8-11H2,1,3-7H3.
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one?
5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).