2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol

C11H24O2 — CID 90988843

IUPAC2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
SMILESCCC(C)(CO)OCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-11(5,9-12)13-8-7-10(2,3)4/h12H,6-9H2,1-5H3
InChIKeyIXRLIPLGSUJDKP-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol

2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol (PubChem CID 90988843) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
PubChem CID90988843
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
SMILESCCC(C)(CO)OCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-11(5,9-12)13-8-7-10(2,3)4/h12H,6-9H2,1-5H3
InChIKeyIXRLIPLGSUJDKP-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-decoxy-2-methylbutan-1-ol
CID 152517276
2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
CID 123870350
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine
CID 65051289
3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 89254911
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
CID 114774521
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
CID 112592507
2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol
CID 89255571

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol (CID 90988843) is 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol is CCC(C)(CO)OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol?
The InChIKey is IXRLIPLGSUJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-11(5,9-12)13-8-7-10(2,3)4/h12H,6-9H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol?
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 90988843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).