1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene

C14H22O2 — CID 59734576

IUPAC1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
SMILESCOCC(C)(OC)c1ccccc1C(C)C
InChIInChI=1S/C14H22O2/c1-11(2)12-8-6-7-9-13(12)14(3,16-5)10-15-4/h6-9,11H,10H2,1-5H3
InChIKeyQZBDBRBEVZZHOE-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds5

About 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene

1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene (PubChem CID 59734576) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
PubChem CID59734576
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
SMILESCOCC(C)(OC)c1ccccc1C(C)C
InChIInChI=1S/C14H22O2/c1-11(2)12-8-6-7-9-13(12)14(3,16-5)10-15-4/h6-9,11H,10H2,1-5H3
InChIKeyQZBDBRBEVZZHOE-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl octyl ether
CID 347508
1,4-Bis(Methoxymethyl)Benzene
CID 81239
2-Methyl-2-phenyloxirane
CID 16398
Isoamyl benzyl ether
CID 31227
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
4-(2-Methylpropyl)benzyl propyl ether
CID 122553315
Methyl cumyl ether
CID 70289

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene (CID 59734576) is 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene is COCC(C)(OC)c1ccccc1C(C)C.
What is the InChIKey of 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene?
The InChIKey is QZBDBRBEVZZHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)12-8-6-7-9-13(12)14(3,16-5)10-15-4/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene?
1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene is sourced from PubChem (CID 59734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).