4-(butoxymethyl)-1,3-dioxole

C8H14O3 — CID 141252218

IUPAC4-(butoxymethyl)-1,3-dioxole
SMILESCCCCOCC1=COCO1
InChIInChI=1S/C8H14O3/c1-2-3-4-9-5-8-6-10-7-11-8/h6H,2-5,7H2,1H3
InChIKeyFRTVZSBPPMSRAS-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds5

About 4-(butoxymethyl)-1,3-dioxole

4-(butoxymethyl)-1,3-dioxole (PubChem CID 141252218) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(butoxymethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-(butoxymethyl)-1,3-dioxole
PubChem CID141252218
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(butoxymethyl)-1,3-dioxole
SMILESCCCCOCC1=COCO1
InChIInChI=1S/C8H14O3/c1-2-3-4-9-5-8-6-10-7-11-8/h6H,2-5,7H2,1H3
InChIKeyFRTVZSBPPMSRAS-UHFFFAOYSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propoxymethyl)oxirene
CID 141065304
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;niobium
CID 87087523
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;tungsten
CID 87115513
lithium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride
CID 172997576
7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260155
magnesium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride;hydrochloride
CID 173191219
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethanol
CID 68583308
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
CID 87241923
CID 87241923
butoxymethyl(trimethyl)silane
CID 552728
butoxymethylbenzene;ethane
CID 145341806
2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane
CID 67801522

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-1,3-dioxole?
The IUPAC name of 4-(butoxymethyl)-1,3-dioxole (CID 141252218) is 4-(butoxymethyl)-1,3-dioxole.
What is the SMILES notation for 4-(butoxymethyl)-1,3-dioxole?
The canonical SMILES for 4-(butoxymethyl)-1,3-dioxole is CCCCOCC1=COCO1.
What is the InChIKey of 4-(butoxymethyl)-1,3-dioxole?
The InChIKey is FRTVZSBPPMSRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-9-5-8-6-10-7-11-8/h6H,2-5,7H2,1H3.
What are the key properties of 4-(butoxymethyl)-1,3-dioxole?
4-(butoxymethyl)-1,3-dioxole has a molecular weight of 158.20 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-1,3-dioxole is sourced from PubChem (CID 141252218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).