5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene

C25H36O2 — CID 129258633

IUPAC5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene
SMILESCCC(C)(Oc1ccc(C)cc1)C(C)(C)c1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C25H36O2/c1-10-25(9,27-22-13-11-18(4)12-14-22)24(7,8)21-15-19(5)23(20(6)16-21)26-17(2)3/h11-17H,10H2,1-9H3
InChIKeyVHWUWNPGSXKNBO-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.92
Rot. Bonds7

About 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene

5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene (PubChem CID 129258633) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene
PubChem CID129258633
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene
SMILESCCC(C)(Oc1ccc(C)cc1)C(C)(C)c1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C25H36O2/c1-10-25(9,27-22-13-11-18(4)12-14-22)24(7,8)21-15-19(5)23(20(6)16-21)26-17(2)3/h11-17H,10H2,1-9H3
InChIKeyVHWUWNPGSXKNBO-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
CID 82267547
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211
N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
CID 63489021
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553
1-methyl-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenyl]sulfonylphenoxy]propan-2-yl]phenyl]sulfonylbenzene
CID 70799182

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene?
The IUPAC name of 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene (CID 129258633) is 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene?
The canonical SMILES for 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene is CCC(C)(Oc1ccc(C)cc1)C(C)(C)c1cc(C)c(OC(C)C)c(C)c1.
What is the InChIKey of 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene?
The InChIKey is VHWUWNPGSXKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-10-25(9,27-22-13-11-18(4)12-14-22)24(7,8)21-15-19(5)23(20(6)16-21)26-17(2)3/h11-17H,10H2,1-9H3.
What are the key properties of 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene?
5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene has a molecular weight of 368.56 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethyl-3-(4-methylphenoxy)pentan-2-yl]-1,3-dimethyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 129258633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).