2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde

C12H20O2 — CID 22572108

IUPAC2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde
SMILESCC(C)C1=COC(C=O)(C(C)C)CC1
InChIInChI=1S/C12H20O2/c1-9(2)11-5-6-12(8-13,10(3)4)14-7-11/h7-10H,5-6H2,1-4H3
InChIKeyUIGLVRAGMWMVFU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds3

About 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde

2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde (PubChem CID 22572108) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde
PubChem CID22572108
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde
SMILESCC(C)C1=COC(C=O)(C(C)C)CC1
InChIInChI=1S/C12H20O2/c1-9(2)11-5-6-12(8-13,10(3)4)14-7-11/h7-10H,5-6H2,1-4H3
InChIKeyUIGLVRAGMWMVFU-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
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 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde?
The IUPAC name of 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde (CID 22572108) is 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde.
What is the SMILES notation for 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde?
The canonical SMILES for 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde is CC(C)C1=COC(C=O)(C(C)C)CC1.
What is the InChIKey of 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde?
The InChIKey is UIGLVRAGMWMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-5-6-12(8-13,10(3)4)14-7-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde?
2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3,4-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 22572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).