9-butyl-7-trimethylsilylbenzo[c]chromen-6-one

C20H24O2Si — CID 102575642

IUPAC9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
SMILESCCCCc1cc([Si](C)(C)C)c2c(=O)oc3ccccc3c2c1
InChIInChI=1S/C20H24O2Si/c1-5-6-9-14-12-16-15-10-7-8-11-17(15)22-20(21)19(16)18(13-14)23(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyJWYRQLIRBHTWGM-UHFFFAOYSA-N
MW324.50 g/mol
LogP4.83
Rot. Bonds4

About 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one

9-butyl-7-trimethylsilylbenzo[c]chromen-6-one (PubChem CID 102575642) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
PubChem CID102575642
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
SMILESCCCCc1cc([Si](C)(C)C)c2c(=O)oc3ccccc3c2c1
InChIInChI=1S/C20H24O2Si/c1-5-6-9-14-12-16-15-10-7-8-11-17(15)22-20(21)19(16)18(13-14)23(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3
InChIKeyJWYRQLIRBHTWGM-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-butylbenzo[c]chromen-6-one
CID 102375140
7-hydroxy-9-propylbenzo[c]chromen-6-one
CID 16754719
2-(4-butylphenyl)chromen-4-one
CID 154714273
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509
2-butyl-3-methylchromen-4-one
CID 174299593
2-butylbenzo[f]chromen-3-one
CID 162410575
7-octyl-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118285728
3,4-diethylchromen-2-one
CID 11680028
2-butyl-3-(4-nitrophenyl)furo[3,2-c]chromen-4-one
CID 44541529
2-dodecylxanthene-9-thione
CID 57217776
naphtho[1,2-c]chromen-5-one
CID 102526290
8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 57224539

Frequently Asked Questions

What is the IUPAC name of 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one?
The IUPAC name of 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one (CID 102575642) is 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one.
What is the SMILES notation for 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one?
The canonical SMILES for 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one is CCCCc1cc([Si](C)(C)C)c2c(=O)oc3ccccc3c2c1.
What is the InChIKey of 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one?
The InChIKey is JWYRQLIRBHTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-5-6-9-14-12-16-15-10-7-8-11-17(15)22-20(21)19(16)18(13-14)23(2,3)4/h7-8,10-13H,5-6,9H2,1-4H3.
What are the key properties of 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one?
9-butyl-7-trimethylsilylbenzo[c]chromen-6-one has a molecular weight of 324.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-7-trimethylsilylbenzo[c]chromen-6-one is sourced from PubChem (CID 102575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).