2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol

C10H20O3 — CID 91540861

IUPAC2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol
SMILESCC(CO)C1CCC(C)(C(C)O)O1
InChIInChI=1S/C10H20O3/c1-7(6-11)9-4-5-10(3,13-9)8(2)12/h7-9,11-12H,4-6H2,1-3H3
InChIKeyYMYMXXHUYCQARR-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds3

About 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol

2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol (PubChem CID 91540861) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol
PubChem CID91540861
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol
SMILESCC(CO)C1CCC(C)(C(C)O)O1
InChIInChI=1S/C10H20O3/c1-7(6-11)9-4-5-10(3,13-9)8(2)12/h7-9,11-12H,4-6H2,1-3H3
InChIKeyYMYMXXHUYCQARR-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol?
The IUPAC name of 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol (CID 91540861) is 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol?
The canonical SMILES for 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol is CC(CO)C1CCC(C)(C(C)O)O1.
What is the InChIKey of 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol?
The InChIKey is YMYMXXHUYCQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(6-11)9-4-5-10(3,13-9)8(2)12/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol?
2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 91540861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).