3,3,5-trimethyl-5-phenyloxolan-2-one

C13H16O2 — CID 11333180

IUPAC3,3,5-trimethyl-5-phenyloxolan-2-one
SMILESCC1(C)CC(C)(c2ccccc2)OC1=O
InChIInChI=1S/C13H16O2/c1-12(2)9-13(3,15-11(12)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUNBOHAJXCDZHCF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.87
Rot. Bonds1

About 3,3,5-trimethyl-5-phenyloxolan-2-one

3,3,5-trimethyl-5-phenyloxolan-2-one (PubChem CID 11333180) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name3,3,5-trimethyl-5-phenyloxolan-2-one
PubChem CID11333180
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3,3,5-trimethyl-5-phenyloxolan-2-one
SMILESCC1(C)CC(C)(c2ccccc2)OC1=O
InChIInChI=1S/C13H16O2/c1-12(2)9-13(3,15-11(12)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyUNBOHAJXCDZHCF-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23367
Linalyl phenylacetate
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Benzyl laurate
CID 8791
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246
alpha,alpha-Dimethylbenzyl isobutyrate
CID 11830590
Methyl p-tert-butylbenzoate
CID 97433
gamma-Phenyl-gamma-butyrolactone
CID 13884
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
3,3-diisopropyl-2-benzofuran-1(3H)-one
CID 826275
Benzyl linoleate
CID 5368290
Ethyl 4-tert-butylbenzoate
CID 79408

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-phenyloxolan-2-one?
The IUPAC name of 3,3,5-trimethyl-5-phenyloxolan-2-one (CID 11333180) is 3,3,5-trimethyl-5-phenyloxolan-2-one.
What is the SMILES notation for 3,3,5-trimethyl-5-phenyloxolan-2-one?
The canonical SMILES for 3,3,5-trimethyl-5-phenyloxolan-2-one is CC1(C)CC(C)(c2ccccc2)OC1=O.
What is the InChIKey of 3,3,5-trimethyl-5-phenyloxolan-2-one?
The InChIKey is UNBOHAJXCDZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-12(2)9-13(3,15-11(12)14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-5-phenyloxolan-2-one?
3,3,5-trimethyl-5-phenyloxolan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-phenyloxolan-2-one is sourced from PubChem (CID 11333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).