[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene

C28H42O — CID 137326565

IUPAC[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene
SMILESCC(C)(C)C(c1ccccc1)C(C)(C)OC(C)(C)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O/c1-25(2,3)23(21-17-13-11-14-18-21)27(7,8)29-28(9,10)24(26(4,5)6)22-19-15-12-16-20-22/h11-20,23-24H,1-10H3
InChIKeySXYSMLKOBIZOMT-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.22
Rot. Bonds6

About [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene

[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene (PubChem CID 137326565) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene.

Molecular Properties

Compound Name[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene
PubChem CID137326565
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene
SMILESCC(C)(C)C(c1ccccc1)C(C)(C)OC(C)(C)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O/c1-25(2,3)23(21-17-13-11-14-18-21)27(7,8)29-28(9,10)24(26(4,5)6)22-19-15-12-16-20-22/h11-20,23-24H,1-10H3
InChIKeySXYSMLKOBIZOMT-UHFFFAOYSA-N
XLogP8.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene?
The IUPAC name of [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene (CID 137326565) is [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene.
What is the SMILES notation for [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene?
The canonical SMILES for [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene is CC(C)(C)C(c1ccccc1)C(C)(C)OC(C)(C)C(c1ccccc1)C(C)(C)C.
What is the InChIKey of [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene?
The InChIKey is SXYSMLKOBIZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-25(2,3)23(21-17-13-11-14-18-21)27(7,8)29-28(9,10)24(26(4,5)6)22-19-15-12-16-20-22/h11-20,23-24H,1-10H3.
What are the key properties of [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene?
[2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene has a molecular weight of 394.64 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,4-trimethyl-4-(2,4,4-trimethyl-3-phenylpentan-2-yl)oxypentan-3-yl]benzene is sourced from PubChem (CID 137326565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).