1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene

C20H34O2 — CID 154145604

IUPAC1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCCCCCc1ccc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C20H34O2/c1-8-9-10-11-12-16-13-14-17(21-19(2,3)4)15-18(16)22-20(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyYZFRNUOKTMUQTQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.16
Rot. Bonds7

About 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene

1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 154145604) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID154145604
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCCCCCCc1ccc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C20H34O2/c1-8-9-10-11-12-16-13-14-17(21-19(2,3)4)15-18(16)22-20(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyYZFRNUOKTMUQTQ-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2-(2,5-dioctylphenoxy)propane-2-sulfonic acid
CID 101315707
[4-[(2-methylpropan-2-yl)oxy]phenyl] 2-dodecylbenzenesulfonate
CID 22593428
sodium 2-(3,4-dihexylphenoxy)butane-2-sulfonate
CID 101315482
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
4-[5-[4-(dimethylamino)-2,6-bis[(2-methylpropan-2-yl)oxy]phenyl]-4-hexylthiophen-2-yl]-N,N-dimethyl-3,5-bis[(2-methylpropan-2-yl)oxy]aniline
CID 129061294
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
5-ethoxy-2-hexylphenol
CID 3021981
1-hexyl-2-(2,2,2-trichloroethoxy)benzene
CID 54232369
2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
CID 58719021
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene (CID 154145604) is 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene is CCCCCCc1ccc(OC(C)(C)C)cc1OC(C)(C)C.
What is the InChIKey of 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is YZFRNUOKTMUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-8-9-10-11-12-16-13-14-17(21-19(2,3)4)15-18(16)22-20(5,6)7/h13-15H,8-12H2,1-7H3.
What are the key properties of 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene?
1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 306.49 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 154145604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).