(2S)-2,5-dimethyl-3-phenyloxolane

C12H16O — CID 59883452

IUPAC(2S)-2,5-dimethyl-3-phenyloxolane
SMILESCC1CC(c2ccccc2)[C@H](C)O1
InChIInChI=1S/C12H16O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyOJWGAHIHTIFWKU-YZRBJQDESA-N
MW176.26 g/mol
LogP2.97
Rot. Bonds1

About (2S)-2,5-dimethyl-3-phenyloxolane

(2S)-2,5-dimethyl-3-phenyloxolane (PubChem CID 59883452) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-3-phenyloxolane.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-3-phenyloxolane
PubChem CID59883452
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-2,5-dimethyl-3-phenyloxolane
SMILESCC1CC(c2ccccc2)[C@H](C)O1
InChIInChI=1S/C12H16O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyOJWGAHIHTIFWKU-YZRBJQDESA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
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Methyl phenethyl ether
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Phenylacetaldehyde 2,3-butylene glycol acetal
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1-Phenyl-2-pentanol
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Isoamyl phenethyl ether
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2-Phenylpropyl isobutyrate
CID 576240
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CID 15046
Benzeneethanol, beta-methyl-, 1-acetate
CID 25239

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-3-phenyloxolane?
The IUPAC name of (2S)-2,5-dimethyl-3-phenyloxolane (CID 59883452) is (2S)-2,5-dimethyl-3-phenyloxolane.
What is the SMILES notation for (2S)-2,5-dimethyl-3-phenyloxolane?
The canonical SMILES for (2S)-2,5-dimethyl-3-phenyloxolane is CC1CC(c2ccccc2)[C@H](C)O1.
What is the InChIKey of (2S)-2,5-dimethyl-3-phenyloxolane?
The InChIKey is OJWGAHIHTIFWKU-YZRBJQDESA-N. The full InChI is InChI=1S/C12H16O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-3-phenyloxolane?
(2S)-2,5-dimethyl-3-phenyloxolane has a molecular weight of 176.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-3-phenyloxolane is sourced from PubChem (CID 59883452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).