(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal

C13H20O2Si — CID 102082445

IUPAC(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal
SMILESC=C(C)C1=CC(CC/C=C/C=O)O[Si]1(C)C
InChIInChI=1S/C13H20O2Si/c1-11(2)13-10-12(15-16(13,3)4)8-6-5-7-9-14/h5,7,9-10,12H,1,6,8H2,2-4H3/b7-5+
InChIKeyGJJFMTZWOJHZKY-FNORWQNLSA-N
MW236.39 g/mol
LogP3.17
Rot. Bonds5

About (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal

(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal (PubChem CID 102082445) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal.

Molecular Properties

Compound Name(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal
PubChem CID102082445
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal
SMILESC=C(C)C1=CC(CC/C=C/C=O)O[Si]1(C)C
InChIInChI=1S/C13H20O2Si/c1-11(2)13-10-12(15-16(13,3)4)8-6-5-7-9-14/h5,7,9-10,12H,1,6,8H2,2-4H3/b7-5+
InChIKeyGJJFMTZWOJHZKY-FNORWQNLSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal?
The IUPAC name of (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal (CID 102082445) is (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal.
What is the SMILES notation for (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal?
The canonical SMILES for (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal is C=C(C)C1=CC(CC/C=C/C=O)O[Si]1(C)C.
What is the InChIKey of (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal?
The InChIKey is GJJFMTZWOJHZKY-FNORWQNLSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-11(2)13-10-12(15-16(13,3)4)8-6-5-7-9-14/h5,7,9-10,12H,1,6,8H2,2-4H3/b7-5+.
What are the key properties of (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal?
(E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal has a molecular weight of 236.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,2-dimethyl-3-prop-1-en-2-yl-5H-oxasilol-5-yl)pent-2-enal is sourced from PubChem (CID 102082445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).