acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane

C14H30O5Si2 — CID 90766534

IUPACacetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane
SMILESCC(=O)O.CO[Si](C)(C)O[Si](C)(OC)C1CC2CCC1C2
InChIInChI=1S/C12H26O3Si2.C2H4O2/c1-13-16(3,4)15-17(5,14-2)12-9-10-6-7-11(12)8-10;1-2(3)4/h10-12H,6-9H2,1-5H3;1H3,(H,3,4)
InChIKeyPLGFPOXTOMBUMO-UHFFFAOYSA-N
MW334.56 g/mol
LogP3.35
Rot. Bonds5

About acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane

acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane (PubChem CID 90766534) has the molecular formula C14H30O5Si2 and a molecular weight of 334.56 g/mol. Its IUPAC name is acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane.

Molecular Properties

Compound Nameacetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane
PubChem CID90766534
Molecular FormulaC14H30O5Si2
Molecular Weight334.56 g/mol
Exact Mass334.16
IUPAC Nameacetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane
SMILESCC(=O)O.CO[Si](C)(C)O[Si](C)(OC)C1CC2CCC1C2
InChIInChI=1S/C12H26O3Si2.C2H4O2/c1-13-16(3,4)15-17(5,14-2)12-9-10-6-7-11(12)8-10;1-2(3)4/h10-12H,6-9H2,1-5H3;1H3,(H,3,4)
InChIKeyPLGFPOXTOMBUMO-UHFFFAOYSA-N
XLogP3.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane?
The IUPAC name of acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane (CID 90766534) is acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane.
What is the SMILES notation for acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane?
The canonical SMILES for acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane is CC(=O)O.CO[Si](C)(C)O[Si](C)(OC)C1CC2CCC1C2.
What is the InChIKey of acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane?
The InChIKey is PLGFPOXTOMBUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si2.C2H4O2/c1-13-16(3,4)15-17(5,14-2)12-9-10-6-7-11(12)8-10;1-2(3)4/h10-12H,6-9H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane?
acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane has a molecular weight of 334.56 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane is sourced from PubChem (CID 90766534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).