4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid

C15H30O5Si2 — CID 57192349

IUPAC4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid
SMILESCCCOC(=O)C(=CC(=O)O)C(CC)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O5Si2/c1-8-10-19-15(18)12(11-14(16)17)13(9-2)22(6,7)20-21(3,4)5/h11,13H,8-10H2,1-7H3,(H,16,17)
InChIKeyACUKIGXPRSNCDU-UHFFFAOYSA-N
MW346.57 g/mol
LogP3.79
Rot. Bonds9

About 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid

4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid (PubChem CID 57192349) has the molecular formula C15H30O5Si2 and a molecular weight of 346.57 g/mol. Its IUPAC name is 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid.

Molecular Properties

Compound Name4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid
PubChem CID57192349
Molecular FormulaC15H30O5Si2
Molecular Weight346.57 g/mol
Exact Mass346.16
IUPAC Name4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid
SMILESCCCOC(=O)C(=CC(=O)O)C(CC)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O5Si2/c1-8-10-19-15(18)12(11-14(16)17)13(9-2)22(6,7)20-21(3,4)5/h11,13H,8-10H2,1-7H3,(H,16,17)
InChIKeyACUKIGXPRSNCDU-UHFFFAOYSA-N
XLogP3.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid?
The IUPAC name of 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid (CID 57192349) is 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid.
What is the SMILES notation for 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid?
The canonical SMILES for 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid is CCCOC(=O)C(=CC(=O)O)C(CC)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid?
The InChIKey is ACUKIGXPRSNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si2/c1-8-10-19-15(18)12(11-14(16)17)13(9-2)22(6,7)20-21(3,4)5/h11,13H,8-10H2,1-7H3,(H,16,17).
What are the key properties of 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid?
4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid has a molecular weight of 346.57 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(trimethylsilyloxy)silyl]-3-propoxycarbonylhex-2-enoic acid is sourced from PubChem (CID 57192349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).