1-pentan-3-yloxypropan-2-ol

C8H18O2 — CID 87672793

IUPAC1-pentan-3-yloxypropan-2-ol
SMILESCCC(CC)OCC(C)O
InChIInChI=1S/C8H18O2/c1-4-8(5-2)10-6-7(3)9/h7-9H,4-6H2,1-3H3
InChIKeyICBNIQPVSXNVCW-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds5

About 1-pentan-3-yloxypropan-2-ol

1-pentan-3-yloxypropan-2-ol (PubChem CID 87672793) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-pentan-3-yloxypropan-2-ol.

Molecular Properties

Compound Name1-pentan-3-yloxypropan-2-ol
PubChem CID87672793
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-pentan-3-yloxypropan-2-ol
SMILESCCC(CC)OCC(C)O
InChIInChI=1S/C8H18O2/c1-4-8(5-2)10-6-7(3)9/h7-9H,4-6H2,1-3H3
InChIKeyICBNIQPVSXNVCW-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yloxypropan-2-ol?
The IUPAC name of 1-pentan-3-yloxypropan-2-ol (CID 87672793) is 1-pentan-3-yloxypropan-2-ol.
What is the SMILES notation for 1-pentan-3-yloxypropan-2-ol?
The canonical SMILES for 1-pentan-3-yloxypropan-2-ol is CCC(CC)OCC(C)O.
What is the InChIKey of 1-pentan-3-yloxypropan-2-ol?
The InChIKey is ICBNIQPVSXNVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(5-2)10-6-7(3)9/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-pentan-3-yloxypropan-2-ol?
1-pentan-3-yloxypropan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yloxypropan-2-ol is sourced from PubChem (CID 87672793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).