1-butan-2-yloxypentan-2-yloxybenzene

C15H24O2 — CID 58764439

IUPAC1-butan-2-yloxypentan-2-yloxybenzene
SMILESCCCC(COC(C)CC)Oc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-9-15(12-16-13(3)5-2)17-14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3
InChIKeyINNMPMZOJGWXIJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.05
Rot. Bonds8

About 1-butan-2-yloxypentan-2-yloxybenzene

1-butan-2-yloxypentan-2-yloxybenzene (PubChem CID 58764439) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-butan-2-yloxypentan-2-yloxybenzene.

Molecular Properties

Compound Name1-butan-2-yloxypentan-2-yloxybenzene
PubChem CID58764439
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name1-butan-2-yloxypentan-2-yloxybenzene
SMILESCCCC(COC(C)CC)Oc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-9-15(12-16-13(3)5-2)17-14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3
InChIKeyINNMPMZOJGWXIJ-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69066857
3-methylhexan-2-yloxybenzene
CID 150585965
undecan-6-yloxybenzene
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N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
tetracosan-8-yloxybenzene
CID 154135377
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
decan-2-yloxybenzene
CID 12838331
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine
CID 102981222
4-phenoxyhexanoic acid
CID 166708960
butan-2-yl 3-methyl-2-phenoxybutanoate
CID 166438385
hexan-3-yloxymethylbenzene
CID 20782034
[(3S,4S)-4-deuteriooctan-3-yl]oxybenzene
CID 10655951

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxypentan-2-yloxybenzene?
The IUPAC name of 1-butan-2-yloxypentan-2-yloxybenzene (CID 58764439) is 1-butan-2-yloxypentan-2-yloxybenzene.
What is the SMILES notation for 1-butan-2-yloxypentan-2-yloxybenzene?
The canonical SMILES for 1-butan-2-yloxypentan-2-yloxybenzene is CCCC(COC(C)CC)Oc1ccccc1.
What is the InChIKey of 1-butan-2-yloxypentan-2-yloxybenzene?
The InChIKey is INNMPMZOJGWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-9-15(12-16-13(3)5-2)17-14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3.
What are the key properties of 1-butan-2-yloxypentan-2-yloxybenzene?
1-butan-2-yloxypentan-2-yloxybenzene has a molecular weight of 236.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxypentan-2-yloxybenzene is sourced from PubChem (CID 58764439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).