(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane

C23H26O2 — CID 134970382

IUPAC(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
SMILESCC1(C)COC2(OC1)C(C/C=C/c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C23H26O2/c1-22(2)16-24-23(25-17-22)20(21(23)19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-14,20-21H,15-17H2,1-2H3/b12-9+/t20?,21-/m0/s1
InChIKeyPOSYOJCGZJJNFW-MATFOKIPSA-N
MW334.46 g/mol
LogP5.27
Rot. Bonds4

About (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane

(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane (PubChem CID 134970382) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
PubChem CID134970382
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane
SMILESCC1(C)COC2(OC1)C(C/C=C/c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C23H26O2/c1-22(2)16-24-23(25-17-22)20(21(23)19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-14,20-21H,15-17H2,1-2H3/b12-9+/t20?,21-/m0/s1
InChIKeyPOSYOJCGZJJNFW-MATFOKIPSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The IUPAC name of (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane (CID 134970382) is (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane.
What is the SMILES notation for (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The canonical SMILES for (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane is CC1(C)COC2(OC1)C(C/C=C/c1ccccc1)[C@@H]2c1ccccc1.
What is the InChIKey of (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
The InChIKey is POSYOJCGZJJNFW-MATFOKIPSA-N. The full InChI is InChI=1S/C23H26O2/c1-22(2)16-24-23(25-17-22)20(21(23)19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-14,20-21H,15-17H2,1-2H3/b12-9+/t20?,21-/m0/s1.
What are the key properties of (2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane?
(2R)-6,6-dimethyl-2-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane has a molecular weight of 334.46 g/mol, XLogP of 5.27, 4 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-phenyl-1-[(E)-3-phenylprop-2-enyl]-4,8-dioxaspiro[2.5]octane is sourced from PubChem (CID 134970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).