1,2-bis(2,2-dimethylpropoxy)benzene

C16H26O2 — CID 15508253

IUPAC1,2-bis(2,2-dimethylpropoxy)benzene
SMILESCC(C)(C)COc1ccccc1OCC(C)(C)C
InChIInChI=1S/C16H26O2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyDCPROQGVQLLTCC-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.54
Rot. Bonds4

About 1,2-bis(2,2-dimethylpropoxy)benzene

1,2-bis(2,2-dimethylpropoxy)benzene (PubChem CID 15508253) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,2-bis(2,2-dimethylpropoxy)benzene.

Molecular Properties

Compound Name1,2-bis(2,2-dimethylpropoxy)benzene
PubChem CID15508253
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,2-bis(2,2-dimethylpropoxy)benzene
SMILESCC(C)(C)COc1ccccc1OCC(C)(C)C
InChIInChI=1S/C16H26O2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyDCPROQGVQLLTCC-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Dibenzo-P-dioxin
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Phenetole
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Phenoxyethyl isobutyrate
CID 61005
Guaiacyl acetate
CID 61155
Phenoxyethyl propionate
CID 31954
Guaiacol propionate
CID 348502

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,2-dimethylpropoxy)benzene?
The IUPAC name of 1,2-bis(2,2-dimethylpropoxy)benzene (CID 15508253) is 1,2-bis(2,2-dimethylpropoxy)benzene.
What is the SMILES notation for 1,2-bis(2,2-dimethylpropoxy)benzene?
The canonical SMILES for 1,2-bis(2,2-dimethylpropoxy)benzene is CC(C)(C)COc1ccccc1OCC(C)(C)C.
What is the InChIKey of 1,2-bis(2,2-dimethylpropoxy)benzene?
The InChIKey is DCPROQGVQLLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6/h7-10H,11-12H2,1-6H3.
What are the key properties of 1,2-bis(2,2-dimethylpropoxy)benzene?
1,2-bis(2,2-dimethylpropoxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,2-dimethylpropoxy)benzene is sourced from PubChem (CID 15508253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).