(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one

C13H22O2Si — CID 10263615

IUPAC(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
SMILESC[Si](C)(C)/C=C1\CC2CCCCC2OC1=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)9-11-8-10-6-4-5-7-12(10)15-13(11)14/h9-10,12H,4-8H2,1-3H3/b11-9+
InChIKeyLKCFVLKHDWAHTC-PKNBQFBNSA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds1

About (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one

(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one (PubChem CID 10263615) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one.

Molecular Properties

Compound Name(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
PubChem CID10263615
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
SMILESC[Si](C)(C)/C=C1\CC2CCCCC2OC1=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)9-11-8-10-6-4-5-7-12(10)15-13(11)14/h9-10,12H,4-8H2,1-3H3/b11-9+
InChIKeyLKCFVLKHDWAHTC-PKNBQFBNSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one?
The IUPAC name of (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one (CID 10263615) is (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one.
What is the SMILES notation for (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one?
The canonical SMILES for (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one is C[Si](C)(C)/C=C1\CC2CCCCC2OC1=O.
What is the InChIKey of (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one?
The InChIKey is LKCFVLKHDWAHTC-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)9-11-8-10-6-4-5-7-12(10)15-13(11)14/h9-10,12H,4-8H2,1-3H3/b11-9+.
What are the key properties of (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one?
(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one has a molecular weight of 238.40 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one is sourced from PubChem (CID 10263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).