5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one

C15H20O3 — CID 57024788

IUPAC5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one
SMILESCC(CC1(O)OC(=O)CC1(C)C)c1ccccc1
InChIInChI=1S/C15H20O3/c1-11(12-7-5-4-6-8-12)9-15(17)14(2,3)10-13(16)18-15/h4-8,11,17H,9-10H2,1-3H3
InChIKeyFUYJPRPPDZNBKF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds3

About 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one

5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one (PubChem CID 57024788) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one
PubChem CID57024788
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one
SMILESCC(CC1(O)OC(=O)CC1(C)C)c1ccccc1
InChIInChI=1S/C15H20O3/c1-11(12-7-5-4-6-8-12)9-15(17)14(2,3)10-13(16)18-15/h4-8,11,17H,9-10H2,1-3H3
InChIKeyFUYJPRPPDZNBKF-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
5-hydroxy-4,4-dimethyl-5-phenyloxolan-2-one;nitromethane
CID 158659767
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
CID 151613800
3-fluoro-3-(2-phenylpropyl)azetidine
CID 130835142
4-hydroxy-2,2-bis(2-methylpropyl)-5-(1-phenylpropyl)-3H-pyran-6-one
CID 54690998
cumene;hydrogen peroxide
CID 21225480
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
CID 162418224
2,6,6-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 71368033
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
4-chlorobutan-2-ylbenzene
CID 570466

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one?
The IUPAC name of 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one (CID 57024788) is 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one?
The canonical SMILES for 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one is CC(CC1(O)OC(=O)CC1(C)C)c1ccccc1.
What is the InChIKey of 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one?
The InChIKey is FUYJPRPPDZNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(12-7-5-4-6-8-12)9-15(17)14(2,3)10-13(16)18-15/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one?
5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethyl-5-(2-phenylpropyl)oxolan-2-one is sourced from PubChem (CID 57024788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).