2,2-di(propan-2-yloxy)ethoxymethylbenzene

C15H24O3 — CID 102410390

IUPAC2,2-di(propan-2-yloxy)ethoxymethylbenzene
SMILESCC(C)OC(COCc1ccccc1)OC(C)C
InChIInChI=1S/C15H24O3/c1-12(2)17-15(18-13(3)4)11-16-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyDJKLTZWXVLVAIR-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.38
Rot. Bonds8

About 2,2-di(propan-2-yloxy)ethoxymethylbenzene

2,2-di(propan-2-yloxy)ethoxymethylbenzene (PubChem CID 102410390) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2,2-di(propan-2-yloxy)ethoxymethylbenzene.

Molecular Properties

Compound Name2,2-di(propan-2-yloxy)ethoxymethylbenzene
PubChem CID102410390
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2,2-di(propan-2-yloxy)ethoxymethylbenzene
SMILESCC(C)OC(COCc1ccccc1)OC(C)C
InChIInChI=1S/C15H24O3/c1-12(2)17-15(18-13(3)4)11-16-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKeyDJKLTZWXVLVAIR-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
CID 89311949
CID 89311949
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
ethane;phenylmethoxymethylbenzene
CID 90943549
2,2-dibromoethoxymethylbenzene
CID 14668834
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine
CID 15857664
5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene
CID 23282412

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yloxy)ethoxymethylbenzene?
The IUPAC name of 2,2-di(propan-2-yloxy)ethoxymethylbenzene (CID 102410390) is 2,2-di(propan-2-yloxy)ethoxymethylbenzene.
What is the SMILES notation for 2,2-di(propan-2-yloxy)ethoxymethylbenzene?
The canonical SMILES for 2,2-di(propan-2-yloxy)ethoxymethylbenzene is CC(C)OC(COCc1ccccc1)OC(C)C.
What is the InChIKey of 2,2-di(propan-2-yloxy)ethoxymethylbenzene?
The InChIKey is DJKLTZWXVLVAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(2)17-15(18-13(3)4)11-16-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yloxy)ethoxymethylbenzene?
2,2-di(propan-2-yloxy)ethoxymethylbenzene has a molecular weight of 252.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yloxy)ethoxymethylbenzene is sourced from PubChem (CID 102410390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).