(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol

C22H30O3 — CID 135012919

IUPAC(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol
SMILESCC(C)(C)C1=C[C@]2(OC[C@@H](C(C)(C)C)O2)[C@](O)(c2ccccc2)C=C1
InChIInChI=1S/C22H30O3/c1-19(2,3)17-12-13-21(23,16-10-8-7-9-11-16)22(14-17)24-15-18(25-22)20(4,5)6/h7-14,18,23H,15H2,1-6H3/t18-,21+,22+/m0/s1
InChIKeyFSDCJBJPYVAALX-VLCRHTCISA-N
MW342.48 g/mol
LogP4.57
Rot. Bonds1

About (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol

(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol (PubChem CID 135012919) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol.

Molecular Properties

Compound Name(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol
PubChem CID135012919
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol
SMILESCC(C)(C)C1=C[C@]2(OC[C@@H](C(C)(C)C)O2)[C@](O)(c2ccccc2)C=C1
InChIInChI=1S/C22H30O3/c1-19(2,3)17-12-13-21(23,16-10-8-7-9-11-16)22(14-17)24-15-18(25-22)20(4,5)6/h7-14,18,23H,15H2,1-6H3/t18-,21+,22+/m0/s1
InChIKeyFSDCJBJPYVAALX-VLCRHTCISA-N
XLogP4.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol with MolForge

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Related Compounds

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2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
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(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
CID 10083371
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CID 11133153
2-tert-butyl-2-phenyl-1,3-dioxane-4-carboxylic acid
CID 174209977
1-[4-(chloromethyl)-2-phenyl-1,3-dioxolan-2-yl]ethanone
CID 134318301
(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one
CID 101465852
4-tert-butyl-2-phenyl-1,3-dioxolane
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4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol?
The IUPAC name of (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol (CID 135012919) is (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol.
What is the SMILES notation for (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol?
The canonical SMILES for (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol is CC(C)(C)C1=C[C@]2(OC[C@@H](C(C)(C)C)O2)[C@](O)(c2ccccc2)C=C1.
What is the InChIKey of (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol?
The InChIKey is FSDCJBJPYVAALX-VLCRHTCISA-N. The full InChI is InChI=1S/C22H30O3/c1-19(2,3)17-12-13-21(23,16-10-8-7-9-11-16)22(14-17)24-15-18(25-22)20(4,5)6/h7-14,18,23H,15H2,1-6H3/t18-,21+,22+/m0/s1.
What are the key properties of (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol?
(3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol has a molecular weight of 342.48 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-3,9-ditert-butyl-6-phenyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-ol is sourced from PubChem (CID 135012919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).