1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene

C14H22O2 — CID 71733772

IUPAC1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
SMILESCOC(C)(Cc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C14H22O2/c1-11(2)13-8-6-12(7-9-13)10-14(3,15-4)16-5/h6-9,11H,10H2,1-5H3
InChIKeyQBIMCMYAOBLWHO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.36
Rot. Bonds5

About 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene

1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene (PubChem CID 71733772) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
PubChem CID71733772
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
SMILESCOC(C)(Cc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C14H22O2/c1-11(2)13-8-6-12(7-9-13)10-14(3,15-4)16-5/h6-9,11H,10H2,1-5H3
InChIKeyQBIMCMYAOBLWHO-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene (CID 71733772) is 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene is COC(C)(Cc1ccc(C(C)C)cc1)OC.
What is the InChIKey of 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene?
The InChIKey is QBIMCMYAOBLWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)13-8-6-12(7-9-13)10-14(3,15-4)16-5/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene?
1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 71733772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).