4-[3-(oxolan-2-yl)propyl]oxan-4-ol

C12H22O3 — CID 65162115

IUPAC4-[3-(oxolan-2-yl)propyl]oxan-4-ol
SMILESOC1(CCCC2CCCO2)CCOCC1
InChIInChI=1S/C12H22O3/c13-12(6-9-14-10-7-12)5-1-3-11-4-2-8-15-11/h11,13H,1-10H2
InChIKeyPEZPEPDTTYHMJA-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.88
Rot. Bonds4

About 4-[3-(oxolan-2-yl)propyl]oxan-4-ol

4-[3-(oxolan-2-yl)propyl]oxan-4-ol (PubChem CID 65162115) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)propyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)propyl]oxan-4-ol
PubChem CID65162115
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-[3-(oxolan-2-yl)propyl]oxan-4-ol
SMILESOC1(CCCC2CCCO2)CCOCC1
InChIInChI=1S/C12H22O3/c13-12(6-9-14-10-7-12)5-1-3-11-4-2-8-15-11/h11,13H,1-10H2
InChIKeyPEZPEPDTTYHMJA-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
6-[2-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-6-ol
CID 79331777
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)propyl]oxan-4-ol?
The IUPAC name of 4-[3-(oxolan-2-yl)propyl]oxan-4-ol (CID 65162115) is 4-[3-(oxolan-2-yl)propyl]oxan-4-ol.
What is the SMILES notation for 4-[3-(oxolan-2-yl)propyl]oxan-4-ol?
The canonical SMILES for 4-[3-(oxolan-2-yl)propyl]oxan-4-ol is OC1(CCCC2CCCO2)CCOCC1.
What is the InChIKey of 4-[3-(oxolan-2-yl)propyl]oxan-4-ol?
The InChIKey is PEZPEPDTTYHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-12(6-9-14-10-7-12)5-1-3-11-4-2-8-15-11/h11,13H,1-10H2.
What are the key properties of 4-[3-(oxolan-2-yl)propyl]oxan-4-ol?
4-[3-(oxolan-2-yl)propyl]oxan-4-ol has a molecular weight of 214.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)propyl]oxan-4-ol is sourced from PubChem (CID 65162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).