2-(butoxymethyl)oxolane

C9H18O2 — CID 4581212

IUPAC2-(butoxymethyl)oxolane
SMILESCCCCOCC1CCCO1
InChIInChI=1S/C9H18O2/c1-2-3-6-10-8-9-5-4-7-11-9/h9H,2-8H2,1H3
InChIKeyPGZISVXTYZWYPK-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds5

About 2-(butoxymethyl)oxolane

2-(butoxymethyl)oxolane (PubChem CID 4581212) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(butoxymethyl)oxolane.

Molecular Properties

Compound Name2-(butoxymethyl)oxolane
PubChem CID4581212
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(butoxymethyl)oxolane
SMILESCCCCOCC1CCCO1
InChIInChI=1S/C9H18O2/c1-2-3-6-10-8-9-5-4-7-11-9/h9H,2-8H2,1H3
InChIKeyPGZISVXTYZWYPK-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Methyl tetrahydrofurfuryl ether
CID 86856
Furan, 2-(ethoxymethyl)tetrahydro-
CID 98256
1,4-Anhydro-2,3,5-tri-O-methyl-D-ribitol
CID 6428066
Tetrahydrofurfuryl isopropyl ether
CID 13763952
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
1-(Tetrahydrofuran-2-ylmethoxy)propan-2-ol
CID 19833725
2,2'-[Oxybis(methylene)]bis(oxolane)
CID 21997131
1,5-Bis(isopropoxy)pentane
CID 57689220
3-Methoxy-2-(methoxymethyl)oxolane
CID 58844104
(+/-)-trans-1,2-Diethoxy-cyclopentane
CID 129658457
3-Tetrahydrofurfuryloxyethanol
CID 129793382
2-(2-Butan-2-yloxyethoxymethyl)-2,3,3,4,4,5-hexafluorooxolane
CID 57689085

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxolane?
The IUPAC name of 2-(butoxymethyl)oxolane (CID 4581212) is 2-(butoxymethyl)oxolane.
What is the SMILES notation for 2-(butoxymethyl)oxolane?
The canonical SMILES for 2-(butoxymethyl)oxolane is CCCCOCC1CCCO1.
What is the InChIKey of 2-(butoxymethyl)oxolane?
The InChIKey is PGZISVXTYZWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-6-10-8-9-5-4-7-11-9/h9H,2-8H2,1H3.
What are the key properties of 2-(butoxymethyl)oxolane?
2-(butoxymethyl)oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)oxolane is sourced from PubChem (CID 4581212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).