2,2-dimethyl-5-(2-phenylethyl)oxolane

C14H20O — CID 11435657

IUPAC2,2-dimethyl-5-(2-phenylethyl)oxolane
SMILESCC1(C)CCC(CCc2ccccc2)O1
InChIInChI=1S/C14H20O/c1-14(2)11-10-13(15-14)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyNIIMWNKFZJFYSA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.58
Rot. Bonds3

About 2,2-dimethyl-5-(2-phenylethyl)oxolane

2,2-dimethyl-5-(2-phenylethyl)oxolane (PubChem CID 11435657) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-phenylethyl)oxolane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-phenylethyl)oxolane
PubChem CID11435657
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,2-dimethyl-5-(2-phenylethyl)oxolane
SMILESCC1(C)CCC(CCc2ccccc2)O1
InChIInChI=1S/C14H20O/c1-14(2)11-10-13(15-14)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyNIIMWNKFZJFYSA-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-phenylethyl)oxolane?
The IUPAC name of 2,2-dimethyl-5-(2-phenylethyl)oxolane (CID 11435657) is 2,2-dimethyl-5-(2-phenylethyl)oxolane.
What is the SMILES notation for 2,2-dimethyl-5-(2-phenylethyl)oxolane?
The canonical SMILES for 2,2-dimethyl-5-(2-phenylethyl)oxolane is CC1(C)CCC(CCc2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-5-(2-phenylethyl)oxolane?
The InChIKey is NIIMWNKFZJFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-14(2)11-10-13(15-14)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(2-phenylethyl)oxolane?
2,2-dimethyl-5-(2-phenylethyl)oxolane has a molecular weight of 204.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-phenylethyl)oxolane is sourced from PubChem (CID 11435657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).