2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate

C19H34O4Si — CID 173378295

IUPAC2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate
SMILESCCCOC(=O)C1(C(=O)OCCC[SiH](C)C)CC2CC1C(C)C2C
InChIInChI=1S/C19H34O4Si/c1-6-8-22-17(20)19(18(21)23-9-7-10-24(4)5)12-15-11-16(19)14(3)13(15)2/h13-16,24H,6-12H2,1-5H3
InChIKeyNNUOFYPETBPNMR-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.66
Rot. Bonds8

About 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate

2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate (PubChem CID 173378295) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate.

Molecular Properties

Compound Name2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate
PubChem CID173378295
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate
SMILESCCCOC(=O)C1(C(=O)OCCC[SiH](C)C)CC2CC1C(C)C2C
InChIInChI=1S/C19H34O4Si/c1-6-8-22-17(20)19(18(21)23-9-7-10-24(4)5)12-15-11-16(19)14(3)13(15)2/h13-16,24H,6-12H2,1-5H3
InChIKeyNNUOFYPETBPNMR-UHFFFAOYSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate with MolForge

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Related Compounds

dipropyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,4-dicarboxylate
CID 139750555
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
tridecyl adamantane-1-carboxylate
CID 585445
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
pentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
CID 58881473
butyl 3-(3-butoxycarbonyl-1-adamantyl)adamantane-1-carboxylate
CID 139894352
propyl 5-methylbicyclo[2.2.1]hept-2-ene-1-carboxylate
CID 67039037
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
dipropyl oxane-4,4-dicarboxylate
CID 69415052

Frequently Asked Questions

What is the IUPAC name of 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate?
The IUPAC name of 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate (CID 173378295) is 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate.
What is the SMILES notation for 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate?
The canonical SMILES for 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate is CCCOC(=O)C1(C(=O)OCCC[SiH](C)C)CC2CC1C(C)C2C.
What is the InChIKey of 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate?
The InChIKey is NNUOFYPETBPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-6-8-22-17(20)19(18(21)23-9-7-10-24(4)5)12-15-11-16(19)14(3)13(15)2/h13-16,24H,6-12H2,1-5H3.
What are the key properties of 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate?
2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate has a molecular weight of 354.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O'-(3-dimethylsilylpropyl) 2-O-propyl 5,6-dimethylbicyclo[2.2.1]heptane-2,2-dicarboxylate is sourced from PubChem (CID 173378295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).