butane;2-(dodecoxymethyl)-5-methyloxolane

C22H46O2 — CID 144869881

IUPACbutane;2-(dodecoxymethyl)-5-methyloxolane
SMILESCCCC.CCCCCCCCCCCCOCC1CCC(C)O1
InChIInChI=1S/C18H36O2.C4H10/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-18-14-13-17(2)20-18;1-3-4-2/h17-18H,3-16H2,1-2H3;3-4H2,1-2H3
InChIKeyFLEDQSJSRRRLRX-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.30
Rot. Bonds14

About butane;2-(dodecoxymethyl)-5-methyloxolane

butane;2-(dodecoxymethyl)-5-methyloxolane (PubChem CID 144869881) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is butane;2-(dodecoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Namebutane;2-(dodecoxymethyl)-5-methyloxolane
PubChem CID144869881
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Namebutane;2-(dodecoxymethyl)-5-methyloxolane
SMILESCCCC.CCCCCCCCCCCCOCC1CCC(C)O1
InChIInChI=1S/C18H36O2.C4H10/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-18-14-13-17(2)20-18;1-3-4-2/h17-18H,3-16H2,1-2H3;3-4H2,1-2H3
InChIKeyFLEDQSJSRRRLRX-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.30
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

2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
2-methyl-5-octadecyloxolane
CID 167511066
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
2,6-bis(dodecoxymethyl)-1,4-dioxane
CID 102503565
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of butane;2-(dodecoxymethyl)-5-methyloxolane?
The IUPAC name of butane;2-(dodecoxymethyl)-5-methyloxolane (CID 144869881) is butane;2-(dodecoxymethyl)-5-methyloxolane.
What is the SMILES notation for butane;2-(dodecoxymethyl)-5-methyloxolane?
The canonical SMILES for butane;2-(dodecoxymethyl)-5-methyloxolane is CCCC.CCCCCCCCCCCCOCC1CCC(C)O1.
What is the InChIKey of butane;2-(dodecoxymethyl)-5-methyloxolane?
The InChIKey is FLEDQSJSRRRLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C4H10/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-18-14-13-17(2)20-18;1-3-4-2/h17-18H,3-16H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;2-(dodecoxymethyl)-5-methyloxolane?
butane;2-(dodecoxymethyl)-5-methyloxolane has a molecular weight of 342.61 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(dodecoxymethyl)-5-methyloxolane is sourced from PubChem (CID 144869881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).