3-methoxy-4-propyloxane

C9H18O2 — CID 90077941

IUPAC3-methoxy-4-propyloxane
SMILESCCCC1CCOCC1OC
InChIInChI=1S/C9H18O2/c1-3-4-8-5-6-11-7-9(8)10-2/h8-9H,3-7H2,1-2H3
InChIKeyLZDOVBMIOKOSKJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About 3-methoxy-4-propyloxane

3-methoxy-4-propyloxane (PubChem CID 90077941) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methoxy-4-propyloxane.

Molecular Properties

Compound Name3-methoxy-4-propyloxane
PubChem CID90077941
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methoxy-4-propyloxane
SMILESCCCC1CCOCC1OC
InChIInChI=1S/C9H18O2/c1-3-4-8-5-6-11-7-9(8)10-2/h8-9H,3-7H2,1-2H3
InChIKeyLZDOVBMIOKOSKJ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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CID 58241375
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CID 58241383
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CID 60138928
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CID 60138954
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propyloxane?
The IUPAC name of 3-methoxy-4-propyloxane (CID 90077941) is 3-methoxy-4-propyloxane.
What is the SMILES notation for 3-methoxy-4-propyloxane?
The canonical SMILES for 3-methoxy-4-propyloxane is CCCC1CCOCC1OC.
What is the InChIKey of 3-methoxy-4-propyloxane?
The InChIKey is LZDOVBMIOKOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-8-5-6-11-7-9(8)10-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-4-propyloxane?
3-methoxy-4-propyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propyloxane is sourced from PubChem (CID 90077941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).