3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene

C22H46O3 — CID 143005011

IUPAC3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
SMILESCC.CC.CC.CC(C)(C)CCO.CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O2.C6H14O.3C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-6(2,3)4-5-7;3*1-2/h5-7H,4H2,1-3H3;7H,4-5H2,1-3H3;3*1-2H3
InChIKeyDABOSGJLYAXXCY-UHFFFAOYSA-N
MW358.61 g/mol
LogP6.76
Rot. Bonds4

About 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene

3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene (PubChem CID 143005011) has the molecular formula C22H46O3 and a molecular weight of 358.61 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene.

Molecular Properties

Compound Name3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
PubChem CID143005011
Molecular FormulaC22H46O3
Molecular Weight358.61 g/mol
Exact Mass358.34
IUPAC Name3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
SMILESCC.CC.CC.CC(C)(C)CCO.CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O2.C6H14O.3C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-6(2,3)4-5-7;3*1-2/h5-7H,4H2,1-3H3;7H,4-5H2,1-3H3;3*1-2H3
InChIKeyDABOSGJLYAXXCY-UHFFFAOYSA-N
XLogP6.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
CID 116841028
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
CID 116861564
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-3-methylhexan-1-ol
CID 66089148
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
CID 16736187
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene?
The IUPAC name of 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene (CID 143005011) is 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene.
What is the SMILES notation for 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene?
The canonical SMILES for 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene is CC.CC.CC.CC(C)(C)CCO.CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene?
The InChIKey is DABOSGJLYAXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C6H14O.3C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-6(2,3)4-5-7;3*1-2/h5-7H,4H2,1-3H3;7H,4-5H2,1-3H3;3*1-2H3.
What are the key properties of 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene?
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene has a molecular weight of 358.61 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene is sourced from PubChem (CID 143005011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).