isoquinoline;2-(oxan-2-yloxy)oxane

C19H25NO3 — CID 174581764

IUPACisoquinoline;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.c1ccc2cnccc2c1
InChIInChI=1S/C10H18O3.C9H7N/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-4-9-7-10-6-5-8(9)3-1/h9-10H,1-8H2;1-7H
InChIKeyOMTINATTXDFJMI-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.29
Rot. Bonds2

About isoquinoline;2-(oxan-2-yloxy)oxane

isoquinoline;2-(oxan-2-yloxy)oxane (PubChem CID 174581764) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is isoquinoline;2-(oxan-2-yloxy)oxane.

Molecular Properties

Compound Nameisoquinoline;2-(oxan-2-yloxy)oxane
PubChem CID174581764
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nameisoquinoline;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.c1ccc2cnccc2c1
InChIInChI=1S/C10H18O3.C9H7N/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-4-9-7-10-6-5-8(9)3-1/h9-10H,1-8H2;1-7H
InChIKeyOMTINATTXDFJMI-UHFFFAOYSA-N
XLogP4.29
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinoline;2-(oxan-2-yloxy)oxane?
The IUPAC name of isoquinoline;2-(oxan-2-yloxy)oxane (CID 174581764) is isoquinoline;2-(oxan-2-yloxy)oxane.
What is the SMILES notation for isoquinoline;2-(oxan-2-yloxy)oxane?
The canonical SMILES for isoquinoline;2-(oxan-2-yloxy)oxane is C1CCC(OC2CCCCO2)OC1.c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline;2-(oxan-2-yloxy)oxane?
The InChIKey is OMTINATTXDFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C9H7N/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-2-4-9-7-10-6-5-8(9)3-1/h9-10H,1-8H2;1-7H.
What are the key properties of isoquinoline;2-(oxan-2-yloxy)oxane?
isoquinoline;2-(oxan-2-yloxy)oxane has a molecular weight of 315.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;2-(oxan-2-yloxy)oxane is sourced from PubChem (CID 174581764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).