propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate

C17H38O6Si3 — CID 123624516

IUPACpropyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate
SMILESC=C(C(=O)OCCC)C(C)(CC(O)CO)[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O6Si3/c1-10-11-21-16(20)14(2)17(3,12-15(19)13-18)24(22-25(4,5)6)23-26(7,8)9/h15,18-19,24H,2,10-13H2,1,3-9H3
InChIKeyUNVSLRMULHEVMV-UHFFFAOYSA-N
MW422.74 g/mol
LogP2.92
Rot. Bonds12

About propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate

propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate (PubChem CID 123624516) has the molecular formula C17H38O6Si3 and a molecular weight of 422.74 g/mol. Its IUPAC name is propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate.

Molecular Properties

Compound Namepropyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate
PubChem CID123624516
Molecular FormulaC17H38O6Si3
Molecular Weight422.74 g/mol
Exact Mass422.20
IUPAC Namepropyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate
SMILESC=C(C(=O)OCCC)C(C)(CC(O)CO)[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O6Si3/c1-10-11-21-16(20)14(2)17(3,12-15(19)13-18)24(22-25(4,5)6)23-26(7,8)9/h15,18-19,24H,2,10-13H2,1,3-9H3
InChIKeyUNVSLRMULHEVMV-UHFFFAOYSA-N
XLogP2.92
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate?
The IUPAC name of propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate (CID 123624516) is propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate.
What is the SMILES notation for propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate?
The canonical SMILES for propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate is C=C(C(=O)OCCC)C(C)(CC(O)CO)[SiH](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate?
The InChIKey is UNVSLRMULHEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O6Si3/c1-10-11-21-16(20)14(2)17(3,12-15(19)13-18)24(22-25(4,5)6)23-26(7,8)9/h15,18-19,24H,2,10-13H2,1,3-9H3.
What are the key properties of propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate?
propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate has a molecular weight of 422.74 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate is sourced from PubChem (CID 123624516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).