3-(oxan-3-yl)pentan-2-ol

C10H20O2 — CID 107137335

IUPAC3-(oxan-3-yl)pentan-2-ol
SMILESCCC(C(C)O)C1CCCOC1
InChIInChI=1S/C10H20O2/c1-3-10(8(2)11)9-5-4-6-12-7-9/h8-11H,3-7H2,1-2H3
InChIKeyCDBXFPVWCVDELT-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About 3-(oxan-3-yl)pentan-2-ol

3-(oxan-3-yl)pentan-2-ol (PubChem CID 107137335) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(oxan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(oxan-3-yl)pentan-2-ol
PubChem CID107137335
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(oxan-3-yl)pentan-2-ol
SMILESCCC(C(C)O)C1CCCOC1
InChIInChI=1S/C10H20O2/c1-3-10(8(2)11)9-5-4-6-12-7-9/h8-11H,3-7H2,1-2H3
InChIKeyCDBXFPVWCVDELT-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxan-3-yl)pentan-2-ol
CID 107137854
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
3-pentan-3-yloxane
CID 15620798
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
CID 59269410
CID 59269410
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
2-(oxan-3-yl)pentan-3-one
CID 107135382
3-(oxan-3-yl)pentan-2-one
CID 107135367
2-(oxan-3-yl)butanoic acid
CID 82411862

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)pentan-2-ol?
The IUPAC name of 3-(oxan-3-yl)pentan-2-ol (CID 107137335) is 3-(oxan-3-yl)pentan-2-ol.
What is the SMILES notation for 3-(oxan-3-yl)pentan-2-ol?
The canonical SMILES for 3-(oxan-3-yl)pentan-2-ol is CCC(C(C)O)C1CCCOC1.
What is the InChIKey of 3-(oxan-3-yl)pentan-2-ol?
The InChIKey is CDBXFPVWCVDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-10(8(2)11)9-5-4-6-12-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-(oxan-3-yl)pentan-2-ol?
3-(oxan-3-yl)pentan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)pentan-2-ol is sourced from PubChem (CID 107137335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).