2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane

C21H26O — CID 166443548

IUPAC2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane
SMILESCC1(C)CCC(CCCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H26O/c1-20(2)16-17-21(22-20,19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3
InChIKeyGRESBCOXBWMQIP-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.49
Rot. Bonds5

About 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane

2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane (PubChem CID 166443548) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane
PubChem CID166443548
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane
SMILESCC1(C)CCC(CCCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H26O/c1-20(2)16-17-21(22-20,19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3
InChIKeyGRESBCOXBWMQIP-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
1,1-dimethyl-3-phenyl-3-(3-phenylpropyl)-2-benzofuran
CID 177421656
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
2-phenyl-2-(3-phenylpropyl)pyrrolidine
CID 167199912
3-phenyl-3-(3-phenylpropyl)thiolane
CID 70366014
(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane
CID 160840078
6,6-dimethyl-3-phenyl-3-(2-phenylethyl)-1,2,4-trioxane
CID 15549418
4-phenylbutylbenzene
CID 141301927
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane?
The IUPAC name of 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane (CID 166443548) is 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane?
The canonical SMILES for 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane is CC1(C)CCC(CCCc2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane?
The InChIKey is GRESBCOXBWMQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-20(2)16-17-21(22-20,19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14H,9,12,15-17H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane?
2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane has a molecular weight of 294.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane is sourced from PubChem (CID 166443548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).