(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane

C17H22O2 — CID 134980513

IUPAC(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
SMILESC=C[C@@H](c1ccccc1)[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C17H22O2/c1-4-14(13-8-6-5-7-9-13)15-10-17(15)18-11-16(2,3)12-19-17/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+/m0/s1
InChIKeyYNCDITGKPMRTFK-LSDHHAIUSA-N
MW258.36 g/mol
LogP3.75
Rot. Bonds3

About (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane

(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane (PubChem CID 134980513) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
PubChem CID134980513
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
SMILESC=C[C@@H](c1ccccc1)[C@H]1CC12OCC(C)(C)CO2
InChIInChI=1S/C17H22O2/c1-4-14(13-8-6-5-7-9-13)15-10-17(15)18-11-16(2,3)12-19-17/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+/m0/s1
InChIKeyYNCDITGKPMRTFK-LSDHHAIUSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane (CID 134980513) is (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane is C=C[C@@H](c1ccccc1)[C@H]1CC12OCC(C)(C)CO2.
What is the InChIKey of (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The InChIKey is YNCDITGKPMRTFK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-14(13-8-6-5-7-9-13)15-10-17(15)18-11-16(2,3)12-19-17/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+/m0/s1.
What are the key properties of (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
(2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane has a molecular weight of 258.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-dimethyl-2-[(1R)-1-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 134980513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).