2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde

C17H20O2 — CID 22456157

IUPAC2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde
SMILESCC1=CC(C)(C)Oc2cc(C3(C)CC3C=O)ccc21
InChIInChI=1S/C17H20O2/c1-11-8-16(2,3)19-15-7-12(5-6-14(11)15)17(4)9-13(17)10-18/h5-8,10,13H,9H2,1-4H3
InChIKeyJCKNYPFXIPKDOC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde

2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde (PubChem CID 22456157) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde
PubChem CID22456157
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde
SMILESCC1=CC(C)(C)Oc2cc(C3(C)CC3C=O)ccc21
InChIInChI=1S/C17H20O2/c1-11-8-16(2,3)19-15-7-12(5-6-14(11)15)17(4)9-13(17)10-18/h5-8,10,13H,9H2,1-4H3
InChIKeyJCKNYPFXIPKDOC-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.74
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 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde (CID 22456157) is 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde is CC1=CC(C)(C)Oc2cc(C3(C)CC3C=O)ccc21.
What is the InChIKey of 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde?
The InChIKey is JCKNYPFXIPKDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11-8-16(2,3)19-15-7-12(5-6-14(11)15)17(4)9-13(17)10-18/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde?
2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde has a molecular weight of 256.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,4-trimethylchromen-7-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 22456157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).