1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene

C14H22O2 — CID 106458424

IUPAC1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
SMILESCc1cc(C)cc(OCCOCC(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(2)10-15-5-6-16-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3
InChIKeyPXARVBKXVBBKCM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.35
Rot. Bonds6

About 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene

1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene (PubChem CID 106458424) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
PubChem CID106458424
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
SMILESCc1cc(C)cc(OCCOCC(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(2)10-15-5-6-16-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3
InChIKeyPXARVBKXVBBKCM-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
3-[2-(2-methylpropoxy)ethoxy]-5-nitroaniline
CID 106451411
2-(2-methylpropoxy)ethyl 3,5-dimethylbenzoate
CID 140608661
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
2-fluoro-4-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106447528
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene?
The IUPAC name of 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene (CID 106458424) is 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene?
The canonical SMILES for 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene is Cc1cc(C)cc(OCCOCC(C)C)c1.
What is the InChIKey of 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene?
The InChIKey is PXARVBKXVBBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)10-15-5-6-16-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene?
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene has a molecular weight of 222.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene is sourced from PubChem (CID 106458424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).