[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol

C13H24O3 — CID 66058186

IUPAC[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
SMILESOCC1(CCCC2CCCO2)CCCOC1
InChIInChI=1S/C13H24O3/c14-10-13(7-3-8-15-11-13)6-1-4-12-5-2-9-16-12/h12,14H,1-11H2
InChIKeyFTQKHMPFVPXFEA-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.12
Rot. Bonds5

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

[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol (PubChem CID 66058186) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
PubChem CID66058186
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
SMILESOCC1(CCCC2CCCO2)CCCOC1
InChIInChI=1S/C13H24O3/c14-10-13(7-3-8-15-11-13)6-1-4-12-5-2-9-16-12/h12,14H,1-11H2
InChIKeyFTQKHMPFVPXFEA-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.12
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
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498

Frequently Asked Questions

What is the IUPAC name of [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol?
The IUPAC name of [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol (CID 66058186) is [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol is OCC1(CCCC2CCCO2)CCCOC1.
What is the InChIKey of [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol?
The InChIKey is FTQKHMPFVPXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-10-13(7-3-8-15-11-13)6-1-4-12-5-2-9-16-12/h12,14H,1-11H2.
What are the key properties of [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol?
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol has a molecular weight of 228.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol is sourced from PubChem (CID 66058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).