1,2-dimethyl-3-pentan-3-yloxybenzene

C13H20O — CID 103432359

IUPAC1,2-dimethyl-3-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-12(6-2)14-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3
InChIKeyCEUPRJLOAZKQRF-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.87
Rot. Bonds4

About 1,2-dimethyl-3-pentan-3-yloxybenzene

1,2-dimethyl-3-pentan-3-yloxybenzene (PubChem CID 103432359) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-pentan-3-yloxybenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-pentan-3-yloxybenzene
PubChem CID103432359
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,2-dimethyl-3-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-12(6-2)14-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3
InChIKeyCEUPRJLOAZKQRF-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
sodium 1-[(2,3-dimethylphenoxy)-oxido-sulfidophosphaniumyl]oxy-2,3-dimethylbenzene
CID 101310875
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2R)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92673641
4-(2,3-dimethylphenoxy)-N-propylpentan-2-amine
CID 64707882
5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 1089194

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-pentan-3-yloxybenzene?
The IUPAC name of 1,2-dimethyl-3-pentan-3-yloxybenzene (CID 103432359) is 1,2-dimethyl-3-pentan-3-yloxybenzene.
What is the SMILES notation for 1,2-dimethyl-3-pentan-3-yloxybenzene?
The canonical SMILES for 1,2-dimethyl-3-pentan-3-yloxybenzene is CCC(CC)Oc1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-pentan-3-yloxybenzene?
The InChIKey is CEUPRJLOAZKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-12(6-2)14-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-pentan-3-yloxybenzene?
1,2-dimethyl-3-pentan-3-yloxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-pentan-3-yloxybenzene is sourced from PubChem (CID 103432359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).