1-(2-methylpentan-3-yloxy)propan-2-ol

C9H20O2 — CID 142712408

IUPAC1-(2-methylpentan-3-yloxy)propan-2-ol
SMILESCCC(OCC(C)O)C(C)C
InChIInChI=1S/C9H20O2/c1-5-9(7(2)3)11-6-8(4)10/h7-10H,5-6H2,1-4H3
InChIKeyKMIKOGVKJYFCTG-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-methylpentan-3-yloxy)propan-2-ol

1-(2-methylpentan-3-yloxy)propan-2-ol (PubChem CID 142712408) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(2-methylpentan-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpentan-3-yloxy)propan-2-ol
PubChem CID142712408
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(2-methylpentan-3-yloxy)propan-2-ol
SMILESCCC(OCC(C)O)C(C)C
InChIInChI=1S/C9H20O2/c1-5-9(7(2)3)11-6-8(4)10/h7-10H,5-6H2,1-4H3
InChIKeyKMIKOGVKJYFCTG-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
CID 142712627
1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
CID 142712664
1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
3-(methoxymethoxy)-2-methylpentane
CID 21050072
1-heptan-4-yloxypropan-2-ol
CID 140681787
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-yloxy)propan-2-ol?
The IUPAC name of 1-(2-methylpentan-3-yloxy)propan-2-ol (CID 142712408) is 1-(2-methylpentan-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylpentan-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-methylpentan-3-yloxy)propan-2-ol is CCC(OCC(C)O)C(C)C.
What is the InChIKey of 1-(2-methylpentan-3-yloxy)propan-2-ol?
The InChIKey is KMIKOGVKJYFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-9(7(2)3)11-6-8(4)10/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-(2-methylpentan-3-yloxy)propan-2-ol?
1-(2-methylpentan-3-yloxy)propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-yloxy)propan-2-ol is sourced from PubChem (CID 142712408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).