1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone

C15H20O2 — CID 915167

IUPAC1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
SMILESCC1(C)C[C@H](C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C15H20O2/c1-15(2)11-13(8-9-17-15)14(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyHGSNTPSHWYITNG-CYBMUJFWSA-N
MW232.32 g/mol
LogP3.00
Rot. Bonds3

About 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone

1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone (PubChem CID 915167) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
PubChem CID915167
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
SMILESCC1(C)C[C@H](C(=O)Cc2ccccc2)CCO1
InChIInChI=1S/C15H20O2/c1-15(2)11-13(8-9-17-15)14(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyHGSNTPSHWYITNG-CYBMUJFWSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
1-(2,2-dimethyloxan-4-yl)propan-1-one
CID 3342537
1-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)propane-1,3-dione
CID 123222998
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 126463692
(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
CID 930580
N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 74244914
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
(4S)-N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxane-4-carboxamide
CID 26342023
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
CID 649009

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone?
The IUPAC name of 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone (CID 915167) is 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone is CC1(C)C[C@H](C(=O)Cc2ccccc2)CCO1.
What is the InChIKey of 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone?
The InChIKey is HGSNTPSHWYITNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2)11-13(8-9-17-15)14(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone?
1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone has a molecular weight of 232.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone is sourced from PubChem (CID 915167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).