1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene

C15H22O2 — CID 174782098

IUPAC1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
SMILESCCOC(OCC)c1ccc(C=C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-16-15(17-6-2)14-9-7-13(8-10-14)11-12(3)4/h7-11,15H,5-6H2,1-4H3
InChIKeyCIDDDZVQONCJNY-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.18
Rot. Bonds6

About 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene

1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene (PubChem CID 174782098) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
PubChem CID174782098
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
SMILESCCOC(OCC)c1ccc(C=C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-16-15(17-6-2)14-9-7-13(8-10-14)11-12(3)4/h7-11,15H,5-6H2,1-4H3
InChIKeyCIDDDZVQONCJNY-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.18
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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Related Compounds

Benzyl acetate
CID 8785
Benzyl formate
CID 7708
Benzaldehyde dimethyl acetal
CID 62375
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Acetaldehyde phenethyl propyl acetal
CID 61403
Benzaldehyde propylene glycol acetal
CID 595928
Benzenemethanol, 4-methyl-, 1-acetate
CID 75187
(Diethoxymethyl)benzene
CID 69884
Benzyl methyl ether
CID 10869
p-Isopropylbenzyl acetate
CID 100990
Phenylacetaldehyde diethyl acetal
CID 80584

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene?
The IUPAC name of 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene (CID 174782098) is 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene is CCOC(OCC)c1ccc(C=C(C)C)cc1.
What is the InChIKey of 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene?
The InChIKey is CIDDDZVQONCJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-16-15(17-6-2)14-9-7-13(8-10-14)11-12(3)4/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene?
1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 174782098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).