(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one

C29H51NO5Si2 — CID 10325250

IUPAC(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one
SMILESCCOC(=C=C(CCC(=O)N1CCCC1)[C@@H](C[C@@H](c1ccoc1)C(C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H51NO5Si2/c1-11-33-28(35-37(8,9)10)20-23(14-15-27(31)30-17-12-13-18-30)26(34-36(5,6)7)21-25(29(2,3)4)24-16-19-32-22-24/h16,19,22,25-26H,11-15,17-18,21H2,1-10H3/t20?,25-,26+/m0/s1
InChIKeyJVUSTEVRFXGULL-XUFZRAOVSA-N
MW549.90 g/mol
LogP7.68
Rot. Bonds13

About (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one

(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one (PubChem CID 10325250) has the molecular formula C29H51NO5Si2 and a molecular weight of 549.90 g/mol. Its IUPAC name is (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one.

Molecular Properties

Compound Name(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one
PubChem CID10325250
Molecular FormulaC29H51NO5Si2
Molecular Weight549.90 g/mol
Exact Mass549.33
IUPAC Name(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one
SMILESCCOC(=C=C(CCC(=O)N1CCCC1)[C@@H](C[C@@H](c1ccoc1)C(C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H51NO5Si2/c1-11-33-28(35-37(8,9)10)20-23(14-15-27(31)30-17-12-13-18-30)26(34-36(5,6)7)21-25(29(2,3)4)24-16-19-32-22-24/h16,19,22,25-26H,11-15,17-18,21H2,1-10H3/t20?,25-,26+/m0/s1
InChIKeyJVUSTEVRFXGULL-XUFZRAOVSA-N
XLogP7.68
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.90
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one?
The IUPAC name of (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one (CID 10325250) is (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one.
What is the SMILES notation for (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one?
The canonical SMILES for (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one is CCOC(=C=C(CCC(=O)N1CCCC1)[C@@H](C[C@@H](c1ccoc1)C(C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one?
The InChIKey is JVUSTEVRFXGULL-XUFZRAOVSA-N. The full InChI is InChI=1S/C29H51NO5Si2/c1-11-33-28(35-37(8,9)10)20-23(14-15-27(31)30-17-12-13-18-30)26(34-36(5,6)7)21-25(29(2,3)4)24-16-19-32-22-24/h16,19,22,25-26H,11-15,17-18,21H2,1-10H3/t20?,25-,26+/m0/s1.
What are the key properties of (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one?
(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one has a molecular weight of 549.90 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one is sourced from PubChem (CID 10325250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).