methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate

C17H30O3Si — CID 10968942

IUPACmethyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
SMILESC=C(C(=O)OC)C(C#C[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C17H30O3Si/c1-12(2)21(13(3)4,14(5)6)11-10-16(19-8)15(7)17(18)20-9/h12-14,16H,7H2,1-6,8-9H3
InChIKeyNDETUAVVNWSFEU-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.95
Rot. Bonds6

About methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate

methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate (PubChem CID 10968942) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
PubChem CID10968942
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate
SMILESC=C(C(=O)OC)C(C#C[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C17H30O3Si/c1-12(2)21(13(3)4,14(5)6)11-10-16(19-8)15(7)17(18)20-9/h12-14,16H,7H2,1-6,8-9H3
InChIKeyNDETUAVVNWSFEU-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate?
The IUPAC name of methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate (CID 10968942) is methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate.
What is the SMILES notation for methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate?
The canonical SMILES for methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate is C=C(C(=O)OC)C(C#C[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate?
The InChIKey is NDETUAVVNWSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-12(2)21(13(3)4,14(5)6)11-10-16(19-8)15(7)17(18)20-9/h12-14,16H,7H2,1-6,8-9H3.
What are the key properties of methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate?
methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate has a molecular weight of 310.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methylidene-5-tri(propan-2-yl)silylpent-4-ynoate is sourced from PubChem (CID 10968942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).