ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene

C14H24O — CID 142216481

IUPACethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
SMILESCC.Cc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C12H18O.C2H6/c1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-2/h6-8H,1-5H3;1-2H3
InChIKeyUCULFJCRFZJXHE-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.43
Rot. Bonds2

About ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene

ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene (PubChem CID 142216481) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Nameethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
PubChem CID142216481
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
SMILESCC.Cc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C12H18O.C2H6/c1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-2/h6-8H,1-5H3;1-2H3
InChIKeyUCULFJCRFZJXHE-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
CID 82267547
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
CID 171366141
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
3-(2,4,6-trimethylphenoxy)butan-1-ol
CID 82077707
2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
CID 143612370
5-[chloro(nitroso)methyl]-1,3-dimethyl-2-propan-2-yloxybenzene
CID 91345599
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
CID 83901418

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The IUPAC name of ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene (CID 142216481) is ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene.
What is the SMILES notation for ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The canonical SMILES for ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene is CC.Cc1cc(C)c(OC(C)C)c(C)c1.
What is the InChIKey of ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
The InChIKey is UCULFJCRFZJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-8(2)13-12-10(4)6-9(3)7-11(12)5;1-2/h6-8H,1-5H3;1-2H3.
What are the key properties of ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene?
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene has a molecular weight of 208.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 142216481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).