4,4-dimethylhexan-2-yloxybenzene

C14H22O — CID 143103780

IUPAC4,4-dimethylhexan-2-yloxybenzene
SMILESCCC(C)(C)CC(C)Oc1ccccc1
InChIInChI=1S/C14H22O/c1-5-14(3,4)11-12(2)15-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyHDAGAVJGRQXZPG-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.28
Rot. Bonds5

About 4,4-dimethylhexan-2-yloxybenzene

4,4-dimethylhexan-2-yloxybenzene (PubChem CID 143103780) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,4-dimethylhexan-2-yloxybenzene.

Molecular Properties

Compound Name4,4-dimethylhexan-2-yloxybenzene
PubChem CID143103780
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4,4-dimethylhexan-2-yloxybenzene
SMILESCCC(C)(C)CC(C)Oc1ccccc1
InChIInChI=1S/C14H22O/c1-5-14(3,4)11-12(2)15-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyHDAGAVJGRQXZPG-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209
1-[2-[2,2-bis(1-phenoxyethoxymethyl)butoxymethyl]-2-(1-phenoxyethoxymethyl)butoxy]ethoxybenzene
CID 139547150
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
6-bromohexan-2-yloxybenzene
CID 150425058
decan-2-yloxybenzene
CID 12838331
1-methoxyethoxybenzene
CID 18188895
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
CID 64811877

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhexan-2-yloxybenzene?
The IUPAC name of 4,4-dimethylhexan-2-yloxybenzene (CID 143103780) is 4,4-dimethylhexan-2-yloxybenzene.
What is the SMILES notation for 4,4-dimethylhexan-2-yloxybenzene?
The canonical SMILES for 4,4-dimethylhexan-2-yloxybenzene is CCC(C)(C)CC(C)Oc1ccccc1.
What is the InChIKey of 4,4-dimethylhexan-2-yloxybenzene?
The InChIKey is HDAGAVJGRQXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14(3,4)11-12(2)15-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 4,4-dimethylhexan-2-yloxybenzene?
4,4-dimethylhexan-2-yloxybenzene has a molecular weight of 206.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhexan-2-yloxybenzene is sourced from PubChem (CID 143103780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).