4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine

C15H22O2 — CID 15582078

IUPAC4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine
SMILESCc1cc(C)c2c(c1)COOC(C)(C)CC2C
InChIInChI=1S/C15H22O2/c1-10-6-11(2)14-12(3)8-15(4,5)17-16-9-13(14)7-10/h6-7,12H,8-9H2,1-5H3
InChIKeyZYLYMUMLHIQRES-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.04
Rot. Bonds

About 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine

4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine (PubChem CID 15582078) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine.

Molecular Properties

Compound Name4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine
PubChem CID15582078
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine
SMILESCc1cc(C)c2c(c1)COOC(C)(C)CC2C
InChIInChI=1S/C15H22O2/c1-10-6-11(2)14-12(3)8-15(4,5)17-16-9-13(14)7-10/h6-7,12H,8-9H2,1-5H3
InChIKeyZYLYMUMLHIQRES-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 166534855
4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
CID 16655529
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
CID 10569042
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116841989
(2R,6S)-2-methyl-6-(2,4,6-trimethylphenyl)oxane
CID 102315276
6,8-dimethyl-4H-1,3-benzodioxine
CID 89017859
5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
CID 83188663
N,3,3,5,7-pentamethyl-1,4-dihydroisothiochromen-4-amine
CID 82887716
2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
CID 82078660
5,7-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 22463171
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
CID 63041822
2-methyl-2-(2-methylpropyl)-6-(2,4,6-trimethylphenyl)morpholine
CID 66178760

Frequently Asked Questions

What is the IUPAC name of 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine?
The IUPAC name of 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine (CID 15582078) is 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine.
What is the SMILES notation for 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine?
The canonical SMILES for 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine is Cc1cc(C)c2c(c1)COOC(C)(C)CC2C.
What is the InChIKey of 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine?
The InChIKey is ZYLYMUMLHIQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-11(2)14-12(3)8-15(4,5)17-16-9-13(14)7-10/h6-7,12H,8-9H2,1-5H3.
What are the key properties of 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine?
4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine has a molecular weight of 234.34 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,7,9-pentamethyl-5,6-dihydro-1H-2,3-benzodioxocine is sourced from PubChem (CID 15582078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).