1-(2,5-dimethylheptan-4-yloxy)propan-2-ol

C12H26O2 — CID 142712627

IUPAC1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
SMILESCCC(C)C(CC(C)C)OCC(C)O
InChIInChI=1S/C12H26O2/c1-6-10(4)12(7-9(2)3)14-8-11(5)13/h9-13H,6-8H2,1-5H3
InChIKeyQKAKEMOIQRPWLW-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.84
Rot. Bonds7

About 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol

1-(2,5-dimethylheptan-4-yloxy)propan-2-ol (PubChem CID 142712627) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
PubChem CID142712627
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
SMILESCCC(C)C(CC(C)C)OCC(C)O
InChIInChI=1S/C12H26O2/c1-6-10(4)12(7-9(2)3)14-8-11(5)13/h9-13H,6-8H2,1-5H3
InChIKeyQKAKEMOIQRPWLW-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
CID 142712664
1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
(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
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
2,4,6,7-tetramethylnonan-5-ol
CID 156689826
1-heptan-4-yloxypropan-2-ol
CID 140681787
butan-2-ol;ethanol
CID 174347632

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol (CID 142712627) is 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol is CCC(C)C(CC(C)C)OCC(C)O.
What is the InChIKey of 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol?
The InChIKey is QKAKEMOIQRPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-10(4)12(7-9(2)3)14-8-11(5)13/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol?
1-(2,5-dimethylheptan-4-yloxy)propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylheptan-4-yloxy)propan-2-ol is sourced from PubChem (CID 142712627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).