5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one

C17H34O5Si — CID 159634228

IUPAC5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)(OC)O[Si](CCC)(OC(C)C)OC(C)C
InChIInChI=1S/C17H34O5Si/c1-10-11-23(20-14(4)5,21-15(6)7)22-17(8,19-9)12-16(18)13(2)3/h14-15H,2,10-12H2,1,3-9H3
InChIKeyMPNLPPQHTQEZMN-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.10
Rot. Bonds12

About 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one

5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one (PubChem CID 159634228) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one
PubChem CID159634228
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)(OC)O[Si](CCC)(OC(C)C)OC(C)C
InChIInChI=1S/C17H34O5Si/c1-10-11-23(20-14(4)5,21-15(6)7)22-17(8,19-9)12-16(18)13(2)3/h14-15H,2,10-12H2,1,3-9H3
InChIKeyMPNLPPQHTQEZMN-UHFFFAOYSA-N
XLogP4.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?
The IUPAC name of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one (CID 159634228) is 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?
The canonical SMILES for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(C)(OC)O[Si](CCC)(OC(C)C)OC(C)C.
What is the InChIKey of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?
The InChIKey is MPNLPPQHTQEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-10-11-23(20-14(4)5,21-15(6)7)22-17(8,19-9)12-16(18)13(2)3/h14-15H,2,10-12H2,1,3-9H3.
What are the key properties of 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one?
5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one has a molecular weight of 346.54 g/mol, XLogP of 4.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yloxy)-propylsilyl]oxy-5-methoxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 159634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).