7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde

C18H28O5Si — CID 25156881

IUPAC7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde
SMILESCOc1cc(C=O)c(O[Si](C(C)C)(C(C)C)C(C)C)c2c1OCO2
InChIInChI=1S/C18H28O5Si/c1-11(2)24(12(3)4,13(5)6)23-16-14(9-19)8-15(20-7)17-18(16)22-10-21-17/h8-9,11-13H,10H2,1-7H3
InChIKeyHUJAHHLDSROZNC-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.79
Rot. Bonds7

About 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde

7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde (PubChem CID 25156881) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde
PubChem CID25156881
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Name7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde
SMILESCOc1cc(C=O)c(O[Si](C(C)C)(C(C)C)C(C)C)c2c1OCO2
InChIInChI=1S/C18H28O5Si/c1-11(2)24(12(3)4,13(5)6)23-16-14(9-19)8-15(20-7)17-18(16)22-10-21-17/h8-9,11-13H,10H2,1-7H3
InChIKeyHUJAHHLDSROZNC-UHFFFAOYSA-N
XLogP4.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde
CID 25034229
2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 23079535
(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 16767189
tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
2-methoxy-5-[tri(propan-2-yl)silyloxymethyl]benzaldehyde
CID 12024000
3,4,5-trimethoxy-2-[6-[2-tri(propan-2-yl)silylethynyl]-1,3-benzodioxol-5-yl]benzaldehyde
CID 162404063
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene
CID 171933927
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde?
The IUPAC name of 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde (CID 25156881) is 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde.
What is the SMILES notation for 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde?
The canonical SMILES for 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde is COc1cc(C=O)c(O[Si](C(C)C)(C(C)C)C(C)C)c2c1OCO2.
What is the InChIKey of 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde?
The InChIKey is HUJAHHLDSROZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-11(2)24(12(3)4,13(5)6)23-16-14(9-19)8-15(20-7)17-18(16)22-10-21-17/h8-9,11-13H,10H2,1-7H3.
What are the key properties of 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde?
7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 352.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-tri(propan-2-yl)silyloxy-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 25156881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).