1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol

C13H24O4 — CID 90866000

IUPAC1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol
SMILESCC(O)C1(C)CCC(C2(C)CCC(CO)O2)O1
InChIInChI=1S/C13H24O4/c1-9(15)12(2)7-5-11(17-12)13(3)6-4-10(8-14)16-13/h9-11,14-15H,4-8H2,1-3H3
InChIKeyOEIFQDMEHHMQTI-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds3

About 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol

1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol (PubChem CID 90866000) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol
PubChem CID90866000
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol
SMILESCC(O)C1(C)CCC(C2(C)CCC(CO)O2)O1
InChIInChI=1S/C13H24O4/c1-9(15)12(2)7-5-11(17-12)13(3)6-4-10(8-14)16-13/h9-11,14-15H,4-8H2,1-3H3
InChIKeyOEIFQDMEHHMQTI-UHFFFAOYSA-N
XLogP1.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol?
The IUPAC name of 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol (CID 90866000) is 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol?
The canonical SMILES for 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol is CC(O)C1(C)CCC(C2(C)CCC(CO)O2)O1.
What is the InChIKey of 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol?
The InChIKey is OEIFQDMEHHMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-9(15)12(2)7-5-11(17-12)13(3)6-4-10(8-14)16-13/h9-11,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol?
1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol has a molecular weight of 244.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(hydroxymethyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 90866000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).