6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid

C14H26O5Si — CID 91338067

IUPAC6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCO[Si](OCC)(OCC)C1CC2CC(C(=O)O)C1C2
InChIInChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)13-9-10-7-11(13)12(8-10)14(15)16/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyROHFGMGEQXPABC-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.54
Rot. Bonds8

About 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid

6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 91338067) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID91338067
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCO[Si](OCC)(OCC)C1CC2CC(C(=O)O)C1C2
InChIInChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)13-9-10-7-11(13)12(8-10)14(15)16/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyROHFGMGEQXPABC-UHFFFAOYSA-N
XLogP2.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl] 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylate
CID 87605087
triethoxy-[(1S,2S)-2-methylcyclopropyl]silane
CID 102422600
ethyl 6-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 70577498
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate
CID 59017051
6-ethoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
CID 121455865
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
3-[(6-carboxy-2-bicyclo[2.2.1]heptanyl)methoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 134267675
(1R,3aS,4S,6aS)-4-ethoxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
CID 125482695

Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 91338067) is 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid is CCO[Si](OCC)(OCC)C1CC2CC(C(=O)O)C1C2.
What is the InChIKey of 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ROHFGMGEQXPABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-4-17-20(18-5-2,19-6-3)13-9-10-7-11(13)12(8-10)14(15)16/h10-13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid?
6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 302.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 91338067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).