8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one

C14H20O2Si — CID 134962237

IUPAC8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one
SMILESCOc1ccc2c(c1)CC(=O)CCC[Si]2(C)C
InChIInChI=1S/C14H20O2Si/c1-16-13-6-7-14-11(10-13)9-12(15)5-4-8-17(14,2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyGVRGCISDAYJLNX-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.52
Rot. Bonds1

About 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one

8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one (PubChem CID 134962237) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one.

Molecular Properties

Compound Name8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one
PubChem CID134962237
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one
SMILESCOc1ccc2c(c1)CC(=O)CCC[Si]2(C)C
InChIInChI=1S/C14H20O2Si/c1-16-13-6-7-14-11(10-13)9-12(15)5-4-8-17(14,2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyGVRGCISDAYJLNX-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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7-methoxy-3,4-dihydro-1H-naphthalen-2-one;sulfurous acid
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3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
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CID 102106088
3,7-dimethoxy-1H-naphthalen-2-one
CID 142704894
3-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;13-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-amine
CID 157372679
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CID 1069394
3-(3-methoxyphenyl)iminocyclohexan-1-one
CID 90695687
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one?
The IUPAC name of 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one (CID 134962237) is 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one.
What is the SMILES notation for 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one?
The canonical SMILES for 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one is COc1ccc2c(c1)CC(=O)CCC[Si]2(C)C.
What is the InChIKey of 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one?
The InChIKey is GVRGCISDAYJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-16-13-6-7-14-11(10-13)9-12(15)5-4-8-17(14,2)3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one?
8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one has a molecular weight of 248.40 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one is sourced from PubChem (CID 134962237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).