1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene

C20H34O — CID 141386895

IUPAC1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
SMILESCCCCCC(CCCC(C)C)Oc1cccc(C)c1C
InChIInChI=1S/C20H34O/c1-6-7-8-13-19(14-9-11-16(2)3)21-20-15-10-12-17(4)18(20)5/h10,12,15-16,19H,6-9,11,13-14H2,1-5H3
InChIKeyPVHYCXORGQGXKL-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.46
Rot. Bonds10

About 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene

1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene (PubChem CID 141386895) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
PubChem CID141386895
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
SMILESCCCCCC(CCCC(C)C)Oc1cccc(C)c1C
InChIInChI=1S/C20H34O/c1-6-7-8-13-19(14-9-11-16(2)3)21-20-15-10-12-17(4)18(20)5/h10,12,15-16,19H,6-9,11,13-14H2,1-5H3
InChIKeyPVHYCXORGQGXKL-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.46
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-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
2-(2-methylphenoxy)octan-1-amine
CID 155313069
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
1,2-di(octan-3-yloxy)benzene
CID 168861859
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
hexane;1,2,3-trimethylbenzene
CID 159405289
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
undecan-6-yloxybenzene
CID 130316504

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene?
The IUPAC name of 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene (CID 141386895) is 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene?
The canonical SMILES for 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene is CCCCCC(CCCC(C)C)Oc1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene?
The InChIKey is PVHYCXORGQGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-6-7-8-13-19(14-9-11-16(2)3)21-20-15-10-12-17(4)18(20)5/h10,12,15-16,19H,6-9,11,13-14H2,1-5H3.
What are the key properties of 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene?
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene has a molecular weight of 290.49 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene is sourced from PubChem (CID 141386895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).