5-(2-methoxypropyl)-4-methyloxolan-3-ol

C9H18O3 — CID 123721977

IUPAC5-(2-methoxypropyl)-4-methyloxolan-3-ol
SMILESCOC(C)CC1OCC(O)C1C
InChIInChI=1S/C9H18O3/c1-6(11-3)4-9-7(2)8(10)5-12-9/h6-10H,4-5H2,1-3H3
InChIKeyDMBRTDIUNDLHAY-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.81
Rot. Bonds3

About 5-(2-methoxypropyl)-4-methyloxolan-3-ol

5-(2-methoxypropyl)-4-methyloxolan-3-ol (PubChem CID 123721977) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-(2-methoxypropyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name5-(2-methoxypropyl)-4-methyloxolan-3-ol
PubChem CID123721977
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name5-(2-methoxypropyl)-4-methyloxolan-3-ol
SMILESCOC(C)CC1OCC(O)C1C
InChIInChI=1S/C9H18O3/c1-6(11-3)4-9-7(2)8(10)5-12-9/h6-10H,4-5H2,1-3H3
InChIKeyDMBRTDIUNDLHAY-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropyl)-4-methyloxolan-3-ol?
The IUPAC name of 5-(2-methoxypropyl)-4-methyloxolan-3-ol (CID 123721977) is 5-(2-methoxypropyl)-4-methyloxolan-3-ol.
What is the SMILES notation for 5-(2-methoxypropyl)-4-methyloxolan-3-ol?
The canonical SMILES for 5-(2-methoxypropyl)-4-methyloxolan-3-ol is COC(C)CC1OCC(O)C1C.
What is the InChIKey of 5-(2-methoxypropyl)-4-methyloxolan-3-ol?
The InChIKey is DMBRTDIUNDLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(11-3)4-9-7(2)8(10)5-12-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(2-methoxypropyl)-4-methyloxolan-3-ol?
5-(2-methoxypropyl)-4-methyloxolan-3-ol has a molecular weight of 174.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 123721977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).