1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene

C25H44O — CID 162303983

IUPAC1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene
SMILESCCC(c1cc(C(C)C)cc(CC(C)(C)C)c1OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C25H44O/c1-13-21(24(7,8)9)20-15-18(17(2)3)14-19(16-23(4,5)6)22(20)26-25(10,11)12/h14-15,17,21H,13,16H2,1-12H3
InChIKeyIYPOBKGAZLZNFT-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.12
Rot. Bonds5

About 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene

1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene (PubChem CID 162303983) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene
PubChem CID162303983
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene
SMILESCCC(c1cc(C(C)C)cc(CC(C)(C)C)c1OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C25H44O/c1-13-21(24(7,8)9)20-15-18(17(2)3)14-19(16-23(4,5)6)22(20)26-25(10,11)12/h14-15,17,21H,13,16H2,1-12H3
InChIKeyIYPOBKGAZLZNFT-UHFFFAOYSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene with MolForge

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Related Compounds

1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-(2,3,3-trimethylbutan-2-yl)benzene
CID 162303974
pentakis(1,3-bis(2,2-dimethylpropyl)-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene);propane
CID 162289377
1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162269132
1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162303990
1-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(methylsulfonylmethyl)-5-propan-2-ylbenzene
CID 134295422
5-(2,2-dimethylpentan-3-yl)benzene-1,3-diamine
CID 163693878
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162269131
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol
CID 68581607
1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 144677187
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene?
The IUPAC name of 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene (CID 162303983) is 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene?
The canonical SMILES for 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene is CCC(c1cc(C(C)C)cc(CC(C)(C)C)c1OC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene?
The InChIKey is IYPOBKGAZLZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-13-21(24(7,8)9)20-15-18(17(2)3)14-19(16-23(4,5)6)22(20)26-25(10,11)12/h14-15,17,21H,13,16H2,1-12H3.
What are the key properties of 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene?
1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene has a molecular weight of 360.63 g/mol, XLogP of 8.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene is sourced from PubChem (CID 162303983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).