3,3-dimethyl-5-phenyloxolane-2-carbaldehyde

C13H16O2 — CID 175344620

IUPAC3,3-dimethyl-5-phenyloxolane-2-carbaldehyde
SMILESCC1(C)CC(c2ccccc2)OC1C=O
InChIInChI=1S/C13H16O2/c1-13(2)8-11(15-12(13)9-14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyROYSIZSATMSAFD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.74
Rot. Bonds2

About 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde

3,3-dimethyl-5-phenyloxolane-2-carbaldehyde (PubChem CID 175344620) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyloxolane-2-carbaldehyde
PubChem CID175344620
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3,3-dimethyl-5-phenyloxolane-2-carbaldehyde
SMILESCC1(C)CC(c2ccccc2)OC1C=O
InChIInChI=1S/C13H16O2/c1-13(2)8-11(15-12(13)9-14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyROYSIZSATMSAFD-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde?
The IUPAC name of 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde (CID 175344620) is 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde.
What is the SMILES notation for 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde?
The canonical SMILES for 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde is CC1(C)CC(c2ccccc2)OC1C=O.
What is the InChIKey of 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde?
The InChIKey is ROYSIZSATMSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)8-11(15-12(13)9-14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde?
3,3-dimethyl-5-phenyloxolane-2-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenyloxolane-2-carbaldehyde is sourced from PubChem (CID 175344620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).