4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione

C14H28O4Si — CID 175720790

IUPAC4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione
SMILESCO[Si](OC)(C(C)C)C(C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C14H28O4Si/c1-9(2)12(15)14(13(16)10(3)4)19(17-7,18-8)11(5)6/h9-11,14H,1-8H3
InChIKeyDKTZHFSUEATIPA-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.95
Rot. Bonds8

About 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione

4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione (PubChem CID 175720790) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione.

Molecular Properties

Compound Name4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione
PubChem CID175720790
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione
SMILESCO[Si](OC)(C(C)C)C(C(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C14H28O4Si/c1-9(2)12(15)14(13(16)10(3)4)19(17-7,18-8)11(5)6/h9-11,14H,1-8H3
InChIKeyDKTZHFSUEATIPA-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-[dimethoxy(propan-2-yl)silyl]-1,1,1,5,5,5-hexafluoropentane-2,4-dione);platinum(2+)
CID 175720623
bis(3-[dimethoxy(methyl)silyl]-5-methylhexane-2,4-dione);platinum(2+)
CID 175720802
methoxy-di(propan-2-yl)-propan-2-yloxysilane
CID 175271430
[[acetyloxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl] acetate
CID 11984011
dimethyl 2-(2-methylpropanoyl)butanedioate
CID 45382056
acetic acid;2,4-dimethylpentan-3-one
CID 87250045
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
2-trimethoxysilylpropanoic acid
CID 19100244
4-amino-5-hydroxy-2-methylhexan-3-one
CID 58593164
2-methylpropanoic acid;ruthenium
CID 88674751
cerium;tris(2-methylpropanoic acid)
CID 153360547

Frequently Asked Questions

What is the IUPAC name of 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione?
The IUPAC name of 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione (CID 175720790) is 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione.
What is the SMILES notation for 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione?
The canonical SMILES for 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione is CO[Si](OC)(C(C)C)C(C(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione?
The InChIKey is DKTZHFSUEATIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-9(2)12(15)14(13(16)10(3)4)19(17-7,18-8)11(5)6/h9-11,14H,1-8H3.
What are the key properties of 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione?
4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione has a molecular weight of 288.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy(propan-2-yl)silyl]-2,6-dimethylheptane-3,5-dione is sourced from PubChem (CID 175720790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).