2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione

C20H36O3Si — CID 164676287

IUPAC2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
SMILESC=C(CCCC1(C)C(=O)CC(C)CC1=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-15(14-23-24(7,8)19(3,4)5)10-9-11-20(6)17(21)12-16(2)13-18(20)22/h16H,1,9-14H2,2-8H3
InChIKeyZPVYNZUIFFPFSM-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.31
Rot. Bonds7

About 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione

2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione (PubChem CID 164676287) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
PubChem CID164676287
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
SMILESC=C(CCCC1(C)C(=O)CC(C)CC1=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-15(14-23-24(7,8)19(3,4)5)10-9-11-20(6)17(21)12-16(2)13-18(20)22/h16H,1,9-14H2,2-8H3
InChIKeyZPVYNZUIFFPFSM-UHFFFAOYSA-N
XLogP5.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione with MolForge

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Related Compounds

(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 134961704
2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
CID 46837534
2-[2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohexane-1,3-dione
CID 101582113
Cyclohexanone, 2-methyl-5-[1-(t-butyldimethylsilyloxymethyl)ethenyl]-
CID 554858
Bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-[3-(t-butyldimethylsilyloxy)prop-1-en-2-yl]-
CID 625953
5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidenecyclohexyl]pentan-2-one
CID 11012368
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one;pent-1-ene
CID 161755720
(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 174010533
4-[(1R,2E,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(methoxymethylidene)cyclohexyl]-3,3-dimethylbutan-2-one
CID 10339890
1-[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-methylidenecyclohexyl]-3-methylbutan-2-one
CID 11089062
5-(3-Dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one
CID 57372696
2-[2-[(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethyl]cyclohexane-1,3-dione
CID 57412965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione?
The IUPAC name of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione (CID 164676287) is 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione.
What is the SMILES notation for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione?
The canonical SMILES for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione is C=C(CCCC1(C)C(=O)CC(C)CC1=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione?
The InChIKey is ZPVYNZUIFFPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-15(14-23-24(7,8)19(3,4)5)10-9-11-20(6)17(21)12-16(2)13-18(20)22/h16H,1,9-14H2,2-8H3.
What are the key properties of 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione?
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione has a molecular weight of 352.59 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione is sourced from PubChem (CID 164676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).