8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one

C19H40O2Si — CID 135049559

IUPAC8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one
SMILESCCCCCCC(=O)C(CCCCCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C19H40O2Si/c1-7-9-11-13-15-18(20)19(16-14-12-10-8-2)22(5,6)21-17(3)4/h17,19H,7-16H2,1-6H3
InChIKeyHTOIJJQMYGSPFZ-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.50
Rot. Bonds14

About 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one

8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one (PubChem CID 135049559) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one.

Molecular Properties

Compound Name8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one
PubChem CID135049559
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one
SMILESCCCCCCC(=O)C(CCCCCC)[Si](C)(C)OC(C)C
InChIInChI=1S/C19H40O2Si/c1-7-9-11-13-15-18(20)19(16-14-12-10-8-2)22(5,6)21-17(3)4/h17,19H,7-16H2,1-6H3
InChIKeyHTOIJJQMYGSPFZ-UHFFFAOYSA-N
XLogP6.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Triethoxysilyl)undecanal
CID 87092852
1-[Tert-butyl(dimethyl)silyl]oxyundec-2-yn-4-one
CID 88867921
8-Trimethylsilyltetradecan-7-one
CID 12524696
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
2-[Dimethyl(propan-2-yloxy)silyl]nonan-3-one
CID 72740805
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
5-[Dimethyl(propan-2-yloxy)silyl]undecan-4-one
CID 134889798
3-[Dimethyl(propan-2-yloxy)silyl]decan-4-one
CID 135049385
3-[Dimethyl(propan-2-yloxy)silyl]nonan-2-one
CID 135049549
1,17-Bis(trimethylsilyl)heptadecane-3,15-dione
CID 139254511
Octadecane-12-on-1-ol, TMS
CID 631035
3-[Bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one
CID 20750492

Frequently Asked Questions

What is the IUPAC name of 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one?
The IUPAC name of 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one (CID 135049559) is 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one.
What is the SMILES notation for 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one?
The canonical SMILES for 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one is CCCCCCC(=O)C(CCCCCC)[Si](C)(C)OC(C)C.
What is the InChIKey of 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one?
The InChIKey is HTOIJJQMYGSPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-7-9-11-13-15-18(20)19(16-14-12-10-8-2)22(5,6)21-17(3)4/h17,19H,7-16H2,1-6H3.
What are the key properties of 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one?
8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one has a molecular weight of 328.61 g/mol, XLogP of 6.50, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[dimethyl(propan-2-yloxy)silyl]tetradecan-7-one is sourced from PubChem (CID 135049559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).