3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

C16H30O3 — CID 115838835

IUPAC3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCC2CCCCO2)C(C)(C)O1
InChIInChI=1S/C16H30O3/c1-15(2)11-13(16(3,4)19-15)14(17)9-8-12-7-5-6-10-18-12/h12-14,17H,5-11H2,1-4H3
InChIKeyBQNPZZIITTZDKX-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.29
Rot. Bonds4

About 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 115838835) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID115838835
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCC2CCCCO2)C(C)(C)O1
InChIInChI=1S/C16H30O3/c1-15(2)11-13(16(3,4)19-15)14(17)9-8-12-7-5-6-10-18-12/h12-14,17H,5-11H2,1-4H3
InChIKeyBQNPZZIITTZDKX-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 115838835) is 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CC1(C)CC(C(O)CCC2CCCCO2)C(C)(C)O1.
What is the InChIKey of 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is BQNPZZIITTZDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-15(2)11-13(16(3,4)19-15)14(17)9-8-12-7-5-6-10-18-12/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 115838835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).