1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione

C17H28O4Si2 — CID 137329955

IUPAC1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione
SMILESCOc1cc(C(=O)CC(=O)C(C)(C)C)ccc1OCCC[SiH2][SiH3]
InChIInChI=1S/C17H28O4Si2/c1-17(2,3)16(19)11-13(18)12-6-7-14(15(10-12)20-4)21-8-5-9-23-22/h6-7,10H,5,8-9,11,23H2,1-4,22H3
InChIKeyIUZQARCXSDNZIL-UHFFFAOYSA-N
MW352.58 g/mol
LogP1.52
Rot. Bonds9

About 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione

1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione (PubChem CID 137329955) has the molecular formula C17H28O4Si2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione.

Molecular Properties

Compound Name1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione
PubChem CID137329955
Molecular FormulaC17H28O4Si2
Molecular Weight352.58 g/mol
Exact Mass352.15
IUPAC Name1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione
SMILESCOc1cc(C(=O)CC(=O)C(C)(C)C)ccc1OCCC[SiH2][SiH3]
InChIInChI=1S/C17H28O4Si2/c1-17(2,3)16(19)11-13(18)12-6-7-14(15(10-12)20-4)21-8-5-9-23-22/h6-7,10H,5,8-9,11,23H2,1-4,22H3
InChIKeyIUZQARCXSDNZIL-UHFFFAOYSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione with MolForge

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Related Compounds

1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione
CID 139666594
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
3-methoxy-4-(4-methoxy-4-oxobutoxy)benzoic acid
CID 43378064
methyl 2-[4-(4-bromobutoxy)-3-methoxyphenyl]-2-oxoacetate
CID 101120929
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
4-(3-ethoxypropoxy)-3-methoxybenzoic acid
CID 65175954
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408909
4-(3-ethylsulfonylpropoxy)-3-methoxybenzoic acid
CID 65093653

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione?
The IUPAC name of 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione (CID 137329955) is 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione.
What is the SMILES notation for 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione?
The canonical SMILES for 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione is COc1cc(C(=O)CC(=O)C(C)(C)C)ccc1OCCC[SiH2][SiH3].
What is the InChIKey of 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione?
The InChIKey is IUZQARCXSDNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si2/c1-17(2,3)16(19)11-13(18)12-6-7-14(15(10-12)20-4)21-8-5-9-23-22/h6-7,10H,5,8-9,11,23H2,1-4,22H3.
What are the key properties of 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione?
1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione has a molecular weight of 352.58 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(disilanyl)propoxy]-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione is sourced from PubChem (CID 137329955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).