5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium

C17H33NOUV — CID 159406336

IUPAC5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium
SMILESC.CC(C)(C)CC1OCC2NC3(CCCC3)CCC21.[U].[V]
InChIInChI=1S/C16H29NO.CH4.U.V/c1-15(2,3)10-14-12-6-9-16(7-4-5-8-16)17-13(12)11-18-14;;;/h12-14,17H,4-11H2,1-3H3;1H4;;
InChIKeyLNZQHBYORKKXMS-UHFFFAOYSA-N
MW556.43 g/mol
LogP4.14
Rot. Bonds1

About 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium

5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium (PubChem CID 159406336) has the molecular formula C17H33NOUV and a molecular weight of 556.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium
PubChem CID159406336
Molecular FormulaC17H33NOUV
Molecular Weight556.43 g/mol
Exact Mass556.25
IUPAC Name5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium
SMILESC.CC(C)(C)CC1OCC2NC3(CCCC3)CCC21.[U].[V]
InChIInChI=1S/C16H29NO.CH4.U.V/c1-15(2,3)10-14-12-6-9-16(7-4-5-8-16)17-13(12)11-18-14;;;/h12-14,17H,4-11H2,1-3H3;1H4;;
InChIKeyLNZQHBYORKKXMS-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium?
The IUPAC name of 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium (CID 159406336) is 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium.
What is the SMILES notation for 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium?
The canonical SMILES for 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium is C.CC(C)(C)CC1OCC2NC3(CCCC3)CCC21.[U].[V].
What is the InChIKey of 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium?
The InChIKey is LNZQHBYORKKXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO.CH4.U.V/c1-15(2,3)10-14-12-6-9-16(7-4-5-8-16)17-13(12)11-18-14;;;/h12-14,17H,4-11H2,1-3H3;1H4;;.
What are the key properties of 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium?
5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium has a molecular weight of 556.43 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)spiro[3,4,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-2,1'-cyclopentane];methane;uranium;vanadium is sourced from PubChem (CID 159406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).