(3R)-3-phenyloxolane-3-carbaldehyde

C11H12O2 — CID 98041318

IUPAC(3R)-3-phenyloxolane-3-carbaldehyde
SMILESO=C[C@@]1(c2ccccc2)CCOC1
InChIInChI=1S/C11H12O2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2/t11-/m0/s1
InChIKeyMHIRTNVRQOESLH-NSHDSACASA-N
MW176.22 g/mol
LogP1.54
Rot. Bonds2

About (3R)-3-phenyloxolane-3-carbaldehyde

(3R)-3-phenyloxolane-3-carbaldehyde (PubChem CID 98041318) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (3R)-3-phenyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-phenyloxolane-3-carbaldehyde
PubChem CID98041318
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(3R)-3-phenyloxolane-3-carbaldehyde
SMILESO=C[C@@]1(c2ccccc2)CCOC1
InChIInChI=1S/C11H12O2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2/t11-/m0/s1
InChIKeyMHIRTNVRQOESLH-NSHDSACASA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.54
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 (3R)-3-phenyloxolane-3-carbaldehyde?
The IUPAC name of (3R)-3-phenyloxolane-3-carbaldehyde (CID 98041318) is (3R)-3-phenyloxolane-3-carbaldehyde.
What is the SMILES notation for (3R)-3-phenyloxolane-3-carbaldehyde?
The canonical SMILES for (3R)-3-phenyloxolane-3-carbaldehyde is O=C[C@@]1(c2ccccc2)CCOC1.
What is the InChIKey of (3R)-3-phenyloxolane-3-carbaldehyde?
The InChIKey is MHIRTNVRQOESLH-NSHDSACASA-N. The full InChI is InChI=1S/C11H12O2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2/t11-/m0/s1.
What are the key properties of (3R)-3-phenyloxolane-3-carbaldehyde?
(3R)-3-phenyloxolane-3-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyloxolane-3-carbaldehyde is sourced from PubChem (CID 98041318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).