2-(3-methoxypropyl)oxane

C9H18O2 — CID 23386511

IUPAC2-(3-methoxypropyl)oxane
SMILESCOCCCC1CCCCO1
InChIInChI=1S/C9H18O2/c1-10-7-4-6-9-5-2-3-8-11-9/h9H,2-8H2,1H3
InChIKeyIVBAFRANRJMQCW-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds4

About 2-(3-methoxypropyl)oxane

2-(3-methoxypropyl)oxane (PubChem CID 23386511) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3-methoxypropyl)oxane.

Molecular Properties

Compound Name2-(3-methoxypropyl)oxane
PubChem CID23386511
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(3-methoxypropyl)oxane
SMILESCOCCCC1CCCCO1
InChIInChI=1S/C9H18O2/c1-10-7-4-6-9-5-2-3-8-11-9/h9H,2-8H2,1H3
InChIKeyIVBAFRANRJMQCW-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclododecane, propoxy-
CID 105765
Cyclododecane, (2-methoxyethoxy)-
CID 174103
2-Propyltetrahydropyran
CID 138066
2-Butoxyoctane
CID 10976213
Octane, 2-ethoxy-
CID 3375569
2-Ethoxydecane
CID 12838329
Isopropyl octyl ether
CID 15562510
Cyclododecane, ethoxy-
CID 11264326
2-Butyl-tetrahydro-pyran
CID 12508241
2-Hexyl-1,4-dioxane
CID 12555016
2-Pentyloxane
CID 12596605
Ethyl 1-ethylheptyl ether
CID 5320196

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)oxane?
The IUPAC name of 2-(3-methoxypropyl)oxane (CID 23386511) is 2-(3-methoxypropyl)oxane.
What is the SMILES notation for 2-(3-methoxypropyl)oxane?
The canonical SMILES for 2-(3-methoxypropyl)oxane is COCCCC1CCCCO1.
What is the InChIKey of 2-(3-methoxypropyl)oxane?
The InChIKey is IVBAFRANRJMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-10-7-4-6-9-5-2-3-8-11-9/h9H,2-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)oxane?
2-(3-methoxypropyl)oxane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)oxane is sourced from PubChem (CID 23386511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).