7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one

C18H34O5Si — CID 11100445

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one
SMILESCC1CCC(O[Si](C)(C)C(C)(C)C)CC2(CCC(=O)O1)OCCO2
InChIInChI=1S/C18H34O5Si/c1-14-7-8-15(23-24(5,6)17(2,3)4)13-18(20-11-12-21-18)10-9-16(19)22-14/h14-15H,7-13H2,1-6H3
InChIKeyCUJATEWAJJUNHC-UHFFFAOYSA-N
MW358.55 g/mol
LogP4.02
Rot. Bonds2

About 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one

7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one (PubChem CID 11100445) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one
PubChem CID11100445
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one
SMILESCC1CCC(O[Si](C)(C)C(C)(C)C)CC2(CCC(=O)O1)OCCO2
InChIInChI=1S/C18H34O5Si/c1-14-7-8-15(23-24(5,6)17(2,3)4)13-18(20-11-12-21-18)10-9-16(19)22-14/h14-15H,7-13H2,1-6H3
InChIKeyCUJATEWAJJUNHC-UHFFFAOYSA-N
XLogP4.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one with MolForge

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Related Compounds

ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
Glycerol, 1-hexadecanoate, DTBS
CID 523755
[2-Methyl-2-(3-octoxy-3-oxopropyl)-1,3-dioxolan-4-yl]methyl octanoate
CID 121354375
[2-(3-Butoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methyl dodecanoate
CID 121354377
[2-(3-Butoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methyl octanoate
CID 121354380
[2-Methyl-2-(3-nonoxy-3-oxopropyl)-1,3-dioxolan-4-yl]methyl nonanoate
CID 121354384
[2-(3-Ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methyl dodecanoate
CID 121354401
[2-(3-Butoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methyl decanoate
CID 132176989
[2-(3-Methoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methyl nonanoate
CID 132176994
[1-Butanoyloxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl] hexadecanoate
CID 152163104
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
(5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10782678

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one (CID 11100445) is 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one is CC1CCC(O[Si](C)(C)C(C)(C)C)CC2(CCC(=O)O1)OCCO2.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one?
The InChIKey is CUJATEWAJJUNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-14-7-8-15(23-24(5,6)17(2,3)4)13-18(20-11-12-21-18)10-9-16(19)22-14/h14-15H,7-13H2,1-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one?
7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one has a molecular weight of 358.55 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradecan-12-one is sourced from PubChem (CID 11100445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).