(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate

C14H26O3Si — CID 72801255

IUPAC(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13(16)17-10-9-12(15)8-7-11-18(4,5)6/h12,15H,8-10H2,1-6H3
InChIKeyWCRRYBMFRVOVKA-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.60
Rot. Bonds4

About (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate

(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate (PubChem CID 72801255) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate
PubChem CID72801255
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)13(16)17-10-9-12(15)8-7-11-18(4,5)6/h12,15H,8-10H2,1-6H3
InChIKeyWCRRYBMFRVOVKA-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate?
The IUPAC name of (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate (CID 72801255) is (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC(O)CC#C[Si](C)(C)C.
What is the InChIKey of (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate?
The InChIKey is WCRRYBMFRVOVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)13(16)17-10-9-12(15)8-7-11-18(4,5)6/h12,15H,8-10H2,1-6H3.
What are the key properties of (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate?
(3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate has a molecular weight of 270.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 72801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).