di(propan-2-yloxy)methylbenzene

C13H20O2 — CID 10943702

IUPACdi(propan-2-yloxy)methylbenzene
SMILESCC(C)OC(OC(C)C)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyQKGHVZAEVIGNMP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.54
Rot. Bonds5

About di(propan-2-yloxy)methylbenzene

di(propan-2-yloxy)methylbenzene (PubChem CID 10943702) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is di(propan-2-yloxy)methylbenzene.

Molecular Properties

Compound Namedi(propan-2-yloxy)methylbenzene
PubChem CID10943702
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namedi(propan-2-yloxy)methylbenzene
SMILESCC(C)OC(OC(C)C)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyQKGHVZAEVIGNMP-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.54
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

CID 8785
CID 8785
CID 7708
CID 7708
CID 62375
CID 62375
CID 8432
CID 8432
CID 31219
CID 31219
CID 62341
CID 62341
CID 230525
CID 230525
CID 10873
CID 10873
CID 61134
CID 61134
CID 61403
CID 61403
CID 346286
CID 346286
CID 569214
CID 569214

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)methylbenzene?
The IUPAC name of di(propan-2-yloxy)methylbenzene (CID 10943702) is di(propan-2-yloxy)methylbenzene.
What is the SMILES notation for di(propan-2-yloxy)methylbenzene?
The canonical SMILES for di(propan-2-yloxy)methylbenzene is CC(C)OC(OC(C)C)c1ccccc1.
What is the InChIKey of di(propan-2-yloxy)methylbenzene?
The InChIKey is QKGHVZAEVIGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)14-13(15-11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3.
What are the key properties of di(propan-2-yloxy)methylbenzene?
di(propan-2-yloxy)methylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)methylbenzene is sourced from PubChem (CID 10943702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).