1-heptan-4-yloxypropan-2-ol

C10H22O2 — CID 140681787

IUPAC1-heptan-4-yloxypropan-2-ol
SMILESCCCC(CCC)OCC(C)O
InChIInChI=1S/C10H22O2/c1-4-6-10(7-5-2)12-8-9(3)11/h9-11H,4-8H2,1-3H3
InChIKeyMCUPSZIPZGVKIB-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds7

About 1-heptan-4-yloxypropan-2-ol

1-heptan-4-yloxypropan-2-ol (PubChem CID 140681787) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-heptan-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-heptan-4-yloxypropan-2-ol
PubChem CID140681787
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-heptan-4-yloxypropan-2-ol
SMILESCCCC(CCC)OCC(C)O
InChIInChI=1S/C10H22O2/c1-4-6-10(7-5-2)12-8-9(3)11/h9-11H,4-8H2,1-3H3
InChIKeyMCUPSZIPZGVKIB-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
CID 87266481
1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
CID 169296789
(2R)-pentan-2-ol
CID 7014876
1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
(2R,4R)-4-heptan-4-yloxypentan-2-ol
CID 134978690
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
1-[(Z)-octadec-9-en-7-yl]oxypropan-2-ol
CID 173440368
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
1-(2-methylpentoxy)ethanol
CID 173285010
2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid
CID 87896935

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yloxypropan-2-ol?
The IUPAC name of 1-heptan-4-yloxypropan-2-ol (CID 140681787) is 1-heptan-4-yloxypropan-2-ol.
What is the SMILES notation for 1-heptan-4-yloxypropan-2-ol?
The canonical SMILES for 1-heptan-4-yloxypropan-2-ol is CCCC(CCC)OCC(C)O.
What is the InChIKey of 1-heptan-4-yloxypropan-2-ol?
The InChIKey is MCUPSZIPZGVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-6-10(7-5-2)12-8-9(3)11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-heptan-4-yloxypropan-2-ol?
1-heptan-4-yloxypropan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yloxypropan-2-ol is sourced from PubChem (CID 140681787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).