(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene

C15H24O2 — CID 155015010

IUPAC(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
SMILESCCOCC(CC(C)C)OCc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-16-12-15(10-13(2)3)17-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyFTPYCJSLWDPWDL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds8

About (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene

(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene (PubChem CID 155015010) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene.

Molecular Properties

Compound Name(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
PubChem CID155015010
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
SMILESCCOCC(CC(C)C)OCc1ccccc1
InChIInChI=1S/C15H24O2/c1-4-16-12-15(10-13(2)3)17-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyFTPYCJSLWDPWDL-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
[(2R)-4-methyl-1-octadecan-2-yloxypentan-2-yl]oxymethylbenzene
CID 118885499
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
[4-methyl-1-(17,17,18,18,18-pentafluorooctadecoxy)pentan-2-yl]oxymethylbenzene
CID 126585963
1-(7-methyloctyl)-3-[5-(4-methyl-2-phenylmethoxypentoxy)pentyl]benzene
CID 155015067
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(213C)ethoxymethylbenzene
CID 87947851
[1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-phenylmethoxypropoxy)methoxy]propan-2-yl]oxymethylbenzene
CID 56990751
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
CID 118110417

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene?
The IUPAC name of (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene (CID 155015010) is (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene.
What is the SMILES notation for (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene?
The canonical SMILES for (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene is CCOCC(CC(C)C)OCc1ccccc1.
What is the InChIKey of (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene?
The InChIKey is FTPYCJSLWDPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-16-12-15(10-13(2)3)17-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene?
(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene has a molecular weight of 236.35 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene is sourced from PubChem (CID 155015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).