(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane

C17H24O2Se — CID 11782748

IUPAC(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane
SMILESCO[C@@H]1O[C@@H](C[Se]c2ccccc2)CC12CCCCC2
InChIInChI=1S/C17H24O2Se/c1-18-16-17(10-6-3-7-11-17)12-14(19-16)13-20-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyUACVVOQOFNOYRG-GDBMZVCRSA-N
MW339.34 g/mol
LogP3.15
Rot. Bonds4

About (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane

(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane (PubChem CID 11782748) has the molecular formula C17H24O2Se and a molecular weight of 339.34 g/mol. Its IUPAC name is (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane
PubChem CID11782748
Molecular FormulaC17H24O2Se
Molecular Weight339.34 g/mol
Exact Mass340.09
IUPAC Name(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane
SMILESCO[C@@H]1O[C@@H](C[Se]c2ccccc2)CC12CCCCC2
InChIInChI=1S/C17H24O2Se/c1-18-16-17(10-6-3-7-11-17)12-14(19-16)13-20-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyUACVVOQOFNOYRG-GDBMZVCRSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane?
The IUPAC name of (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane (CID 11782748) is (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane.
What is the SMILES notation for (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane?
The canonical SMILES for (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane is CO[C@@H]1O[C@@H](C[Se]c2ccccc2)CC12CCCCC2.
What is the InChIKey of (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane?
The InChIKey is UACVVOQOFNOYRG-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24O2Se/c1-18-16-17(10-6-3-7-11-17)12-14(19-16)13-20-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane?
(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane has a molecular weight of 339.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane is sourced from PubChem (CID 11782748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).