1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene

C22H38O — CID 162724189

IUPAC1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCCCC(CC)COCc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C22H38O/c1-8-10-18(9-2)15-23-16-19-11-13-20(14-12-19)22(6,7)17-21(3,4)5/h11-14,18H,8-10,15-17H2,1-7H3
InChIKeyFIARLZCCOGGFOK-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.74
Rot. Bonds9

About 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene

1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 162724189) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID162724189
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCCCC(CC)COCc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C22H38O/c1-8-10-18(9-2)15-23-16-19-11-13-20(14-12-19)22(6,7)17-21(3,4)5/h11-14,18H,8-10,15-17H2,1-7H3
InChIKeyFIARLZCCOGGFOK-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783
N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 58676284
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane
CID 54443604
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
(2R)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid;(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid
CID 139204486

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene (CID 162724189) is 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene is CCCC(CC)COCc1ccc(C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is FIARLZCCOGGFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-8-10-18(9-2)15-23-16-19-11-13-20(14-12-19)22(6,7)17-21(3,4)5/h11-14,18H,8-10,15-17H2,1-7H3.
What are the key properties of 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene?
1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 318.55 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 162724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).