1,2-dimethyl-3-(4-methylpentoxy)benzene

C14H22O — CID 103432295

IUPAC1,2-dimethyl-3-(4-methylpentoxy)benzene
SMILESCc1cccc(OCCCC(C)C)c1C
InChIInChI=1S/C14H22O/c1-11(2)7-6-10-15-14-9-5-8-12(3)13(14)4/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyNDZSDFVKDCSRSJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.12
Rot. Bonds5

About 1,2-dimethyl-3-(4-methylpentoxy)benzene

1,2-dimethyl-3-(4-methylpentoxy)benzene (PubChem CID 103432295) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylpentoxy)benzene
PubChem CID103432295
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,2-dimethyl-3-(4-methylpentoxy)benzene
SMILESCc1cccc(OCCCC(C)C)c1C
InChIInChI=1S/C14H22O/c1-11(2)7-6-10-15-14-9-5-8-12(3)13(14)4/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyNDZSDFVKDCSRSJ-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
1-(4-methylpentoxy)naphthalene
CID 83168126
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
4-[1-cyano-4-(2,3-dimethylphenoxy)butyl]benzonitrile
CID 82137772
4-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027852
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylpentoxy)benzene?
The IUPAC name of 1,2-dimethyl-3-(4-methylpentoxy)benzene (CID 103432295) is 1,2-dimethyl-3-(4-methylpentoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylpentoxy)benzene?
The canonical SMILES for 1,2-dimethyl-3-(4-methylpentoxy)benzene is Cc1cccc(OCCCC(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(4-methylpentoxy)benzene?
The InChIKey is NDZSDFVKDCSRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)7-6-10-15-14-9-5-8-12(3)13(14)4/h5,8-9,11H,6-7,10H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-(4-methylpentoxy)benzene?
1,2-dimethyl-3-(4-methylpentoxy)benzene has a molecular weight of 206.33 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4-methylpentoxy)benzene is sourced from PubChem (CID 103432295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).