3-(4-methylpentan-2-yloxy)butan-2-ol

C10H22O2 — CID 558945

IUPAC3-(4-methylpentan-2-yloxy)butan-2-ol
SMILESCC(C)CC(C)OC(C)C(C)O
InChIInChI=1S/C10H22O2/c1-7(2)6-8(3)12-10(5)9(4)11/h7-11H,6H2,1-5H3
InChIKeyJZJIEBREECLIGW-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-methylpentan-2-yloxy)butan-2-ol

3-(4-methylpentan-2-yloxy)butan-2-ol (PubChem CID 558945) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)butan-2-ol
PubChem CID558945
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(4-methylpentan-2-yloxy)butan-2-ol
SMILESCC(C)CC(C)OC(C)C(C)O
InChIInChI=1S/C10H22O2/c1-7(2)6-8(3)12-10(5)9(4)11/h7-11H,6H2,1-5H3
InChIKeyJZJIEBREECLIGW-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-((2-Ethylhexyl)oxy)-1,2-propanediol
CID 9859093
(2S)-2-butoxybutan-1-ol
CID 21225521
Polytetramethylene Ether Glycol (PTHF)
CID 3084433
Ethanol, 2-[2-[(2-methylpentyl)oxy]ethoxy]-
CID 25009
Ethanol, 2-(2-ethylbutoxy)-
CID 20548
Ethanol, 2-((2-methylpentyl)oxy)-
CID 24981
Ethanol, 2-(2-(1-isobutyl-3-methylbutoxy)ethoxy)-
CID 45951
1,3-Di(3-methylbutoxy)-2-propanol
CID 69383
3-(3-Methylbutoxy)-1,2-propanediol
CID 95650
1-Pentanol, 2-(isopentyloxy)-4-methyl-
CID 111999
1-Methoxy-3-methylbutan-2-ol
CID 61553086
1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
CID 111479

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)butan-2-ol?
The IUPAC name of 3-(4-methylpentan-2-yloxy)butan-2-ol (CID 558945) is 3-(4-methylpentan-2-yloxy)butan-2-ol.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)butan-2-ol?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)butan-2-ol is CC(C)CC(C)OC(C)C(C)O.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)butan-2-ol?
The InChIKey is JZJIEBREECLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7(2)6-8(3)12-10(5)9(4)11/h7-11H,6H2,1-5H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)butan-2-ol?
3-(4-methylpentan-2-yloxy)butan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)butan-2-ol is sourced from PubChem (CID 558945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).