[2-(diethoxymethyl)cyclopropyl]benzene

C14H20O2 — CID 5123729

IUPAC[2-(diethoxymethyl)cyclopropyl]benzene
SMILESCCOC(OCC)C1CC1c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-15-14(16-4-2)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3
InChIKeyXDFRERJYVKNAFM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.19
Rot. Bonds6

About [2-(diethoxymethyl)cyclopropyl]benzene

[2-(diethoxymethyl)cyclopropyl]benzene (PubChem CID 5123729) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [2-(diethoxymethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-(diethoxymethyl)cyclopropyl]benzene
PubChem CID5123729
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[2-(diethoxymethyl)cyclopropyl]benzene
SMILESCCOC(OCC)C1CC1c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-15-14(16-4-2)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3
InChIKeyXDFRERJYVKNAFM-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(diethoxymethyl)cyclopropyl]benzene?
The IUPAC name of [2-(diethoxymethyl)cyclopropyl]benzene (CID 5123729) is [2-(diethoxymethyl)cyclopropyl]benzene.
What is the SMILES notation for [2-(diethoxymethyl)cyclopropyl]benzene?
The canonical SMILES for [2-(diethoxymethyl)cyclopropyl]benzene is CCOC(OCC)C1CC1c1ccccc1.
What is the InChIKey of [2-(diethoxymethyl)cyclopropyl]benzene?
The InChIKey is XDFRERJYVKNAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-15-14(16-4-2)13-10-12(13)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3.
What are the key properties of [2-(diethoxymethyl)cyclopropyl]benzene?
[2-(diethoxymethyl)cyclopropyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)cyclopropyl]benzene is sourced from PubChem (CID 5123729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).