2-butan-2-yloxybutane;3-methylbutan-1-ol

C13H30O2 — CID 175296093

IUPAC2-butan-2-yloxybutane;3-methylbutan-1-ol
SMILESCC(C)CCO.CCC(C)OC(C)CC
InChIInChI=1S/C8H18O.C5H12O/c1-5-7(3)9-8(4)6-2;1-5(2)3-4-6/h7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyHVJRDNUQRKEVHN-UHFFFAOYSA-N
MW218.38 g/mol
LogP3.62
Rot. Bonds6

About 2-butan-2-yloxybutane;3-methylbutan-1-ol

2-butan-2-yloxybutane;3-methylbutan-1-ol (PubChem CID 175296093) has the molecular formula C13H30O2 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-butan-2-yloxybutane;3-methylbutan-1-ol.

Molecular Properties

Compound Name2-butan-2-yloxybutane;3-methylbutan-1-ol
PubChem CID175296093
Molecular FormulaC13H30O2
Molecular Weight218.38 g/mol
Exact Mass218.22
IUPAC Name2-butan-2-yloxybutane;3-methylbutan-1-ol
SMILESCC(C)CCO.CCC(C)OC(C)CC
InChIInChI=1S/C8H18O.C5H12O/c1-5-7(3)9-8(4)6-2;1-5(2)3-4-6/h7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3
InChIKeyHVJRDNUQRKEVHN-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yloxybutane;ethanol
CID 88614162
ethane;3-methylbutan-1-ol;propane
CID 163391548
(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841193
sodium;hydride;3-methylbutan-1-ol
CID 173128134
calcium;hydride;3-methylbutan-1-ol
CID 174734037
azane;2-butan-2-yloxybutane
CID 87187028
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
chloroform;3-methylbutan-1-ol
CID 173101838
2-butan-2-yloxybutane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174496086
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxybutane;3-methylbutan-1-ol?
The IUPAC name of 2-butan-2-yloxybutane;3-methylbutan-1-ol (CID 175296093) is 2-butan-2-yloxybutane;3-methylbutan-1-ol.
What is the SMILES notation for 2-butan-2-yloxybutane;3-methylbutan-1-ol?
The canonical SMILES for 2-butan-2-yloxybutane;3-methylbutan-1-ol is CC(C)CCO.CCC(C)OC(C)CC.
What is the InChIKey of 2-butan-2-yloxybutane;3-methylbutan-1-ol?
The InChIKey is HVJRDNUQRKEVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C5H12O/c1-5-7(3)9-8(4)6-2;1-5(2)3-4-6/h7-8H,5-6H2,1-4H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2-butan-2-yloxybutane;3-methylbutan-1-ol?
2-butan-2-yloxybutane;3-methylbutan-1-ol has a molecular weight of 218.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxybutane;3-methylbutan-1-ol is sourced from PubChem (CID 175296093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).