4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one

C18H22O2Si — CID 10614043

IUPAC4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one
SMILESC[Si](C)(C)c1oc(=O)c2ccccc2c1C1=CCCCC1
InChIInChI=1S/C18H22O2Si/c1-21(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(19)20-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyLDPGPXYIPHPOGJ-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.30
Rot. Bonds2

About 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one

4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one (PubChem CID 10614043) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one
PubChem CID10614043
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one
SMILESC[Si](C)(C)c1oc(=O)c2ccccc2c1C1=CCCCC1
InChIInChI=1S/C18H22O2Si/c1-21(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(19)20-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyLDPGPXYIPHPOGJ-UHFFFAOYSA-N
XLogP4.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one?
The IUPAC name of 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one (CID 10614043) is 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one is C[Si](C)(C)c1oc(=O)c2ccccc2c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one?
The InChIKey is LDPGPXYIPHPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-21(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(19)20-18/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one?
4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one has a molecular weight of 298.46 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one is sourced from PubChem (CID 10614043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).