1-adamantyl 2-trimethylsilyloxyprop-2-enoate

C16H26O3Si — CID 139758849

IUPAC1-adamantyl 2-trimethylsilyloxyprop-2-enoate
SMILESC=C(O[Si](C)(C)C)C(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26O3Si/c1-11(19-20(2,3)4)15(17)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1,5-10H2,2-4H3
InChIKeyBRHVETJHGMDZNP-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.86
Rot. Bonds4

About 1-adamantyl 2-trimethylsilyloxyprop-2-enoate

1-adamantyl 2-trimethylsilyloxyprop-2-enoate (PubChem CID 139758849) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-adamantyl 2-trimethylsilyloxyprop-2-enoate.

Molecular Properties

Compound Name1-adamantyl 2-trimethylsilyloxyprop-2-enoate
PubChem CID139758849
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name1-adamantyl 2-trimethylsilyloxyprop-2-enoate
SMILESC=C(O[Si](C)(C)C)C(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26O3Si/c1-11(19-20(2,3)4)15(17)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1,5-10H2,2-4H3
InChIKeyBRHVETJHGMDZNP-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 1-adamantyl 2-trimethylsilyloxyprop-2-enoate?
The IUPAC name of 1-adamantyl 2-trimethylsilyloxyprop-2-enoate (CID 139758849) is 1-adamantyl 2-trimethylsilyloxyprop-2-enoate.
What is the SMILES notation for 1-adamantyl 2-trimethylsilyloxyprop-2-enoate?
The canonical SMILES for 1-adamantyl 2-trimethylsilyloxyprop-2-enoate is C=C(O[Si](C)(C)C)C(=O)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl 2-trimethylsilyloxyprop-2-enoate?
The InChIKey is BRHVETJHGMDZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-11(19-20(2,3)4)15(17)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1,5-10H2,2-4H3.
What are the key properties of 1-adamantyl 2-trimethylsilyloxyprop-2-enoate?
1-adamantyl 2-trimethylsilyloxyprop-2-enoate has a molecular weight of 294.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl 2-trimethylsilyloxyprop-2-enoate is sourced from PubChem (CID 139758849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).