3-pentan-3-yloxan-4-ol

C10H20O2 — CID 106471344

IUPAC3-pentan-3-yloxan-4-ol
SMILESCCC(CC)C1COCCC1O
InChIInChI=1S/C10H20O2/c1-3-8(4-2)9-7-12-6-5-10(9)11/h8-11H,3-7H2,1-2H3
InChIKeyUAYWUCIYUTVWBS-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About 3-pentan-3-yloxan-4-ol

3-pentan-3-yloxan-4-ol (PubChem CID 106471344) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-pentan-3-yloxan-4-ol.

Molecular Properties

Compound Name3-pentan-3-yloxan-4-ol
PubChem CID106471344
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-pentan-3-yloxan-4-ol
SMILESCCC(CC)C1COCCC1O
InChIInChI=1S/C10H20O2/c1-3-8(4-2)9-7-12-6-5-10(9)11/h8-11H,3-7H2,1-2H3
InChIKeyUAYWUCIYUTVWBS-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

oxolan-3-ol;propane
CID 144858845
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
3-[ethyl(2-methylbutyl)amino]oxan-4-ol
CID 115278519
4-butan-2-yloxolan-3-ol
CID 147418216
3-pentan-3-yloxane
CID 15620798
4-(1-aminopropyl)oxolan-3-ol
CID 55288646
(3R,4R)-4-ethyl-3-propan-2-yloxane
CID 129093904
3-(methylamino)oxan-4-ol
CID 55287171
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
3-(3-hydroxy-2-methylpropyl)oxan-4-ol
CID 106471163
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yloxan-4-ol?
The IUPAC name of 3-pentan-3-yloxan-4-ol (CID 106471344) is 3-pentan-3-yloxan-4-ol.
What is the SMILES notation for 3-pentan-3-yloxan-4-ol?
The canonical SMILES for 3-pentan-3-yloxan-4-ol is CCC(CC)C1COCCC1O.
What is the InChIKey of 3-pentan-3-yloxan-4-ol?
The InChIKey is UAYWUCIYUTVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-8(4-2)9-7-12-6-5-10(9)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-pentan-3-yloxan-4-ol?
3-pentan-3-yloxan-4-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-pentan-3-yloxan-4-ol is sourced from PubChem (CID 106471344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).