7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene

C20H32O2 — CID 19912838

IUPAC7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
SMILESCCOC(OCC)c1ccc2c(c1)C(C)(C)C(C)CC2(C)C
InChIInChI=1S/C20H32O2/c1-8-21-18(22-9-2)15-10-11-16-17(12-15)20(6,7)14(3)13-19(16,4)5/h10-12,14,18H,8-9,13H2,1-7H3
InChIKeyPRNGVWOCXLZHDQ-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.35
Rot. Bonds5

About 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene

7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene (PubChem CID 19912838) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
PubChem CID19912838
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
SMILESCCOC(OCC)c1ccc2c(c1)C(C)(C)C(C)CC2(C)C
InChIInChI=1S/C20H32O2/c1-8-21-18(22-9-2)15-10-11-16-17(12-15)20(6,7)14(3)13-19(16,4)5/h10-12,14,18H,8-9,13H2,1-7H3
InChIKeyPRNGVWOCXLZHDQ-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene (CID 19912838) is 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene is CCOC(OCC)c1ccc2c(c1)C(C)(C)C(C)CC2(C)C.
What is the InChIKey of 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is PRNGVWOCXLZHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-8-21-18(22-9-2)15-10-11-16-17(12-15)20(6,7)14(3)13-19(16,4)5/h10-12,14,18H,8-9,13H2,1-7H3.
What are the key properties of 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene?
7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 304.47 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 19912838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).