2-(2-prop-1-enoxyethoxy)butane

C9H18O2 — CID 139983710

IUPAC2-(2-prop-1-enoxyethoxy)butane
SMILESCC=COCCOC(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,6,9H,5,7-8H2,1-3H3
InChIKeyNNWIUYLOFGBWDL-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds6

About 2-(2-prop-1-enoxyethoxy)butane

2-(2-prop-1-enoxyethoxy)butane (PubChem CID 139983710) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-prop-1-enoxyethoxy)butane.

Molecular Properties

Compound Name2-(2-prop-1-enoxyethoxy)butane
PubChem CID139983710
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2-prop-1-enoxyethoxy)butane
SMILESCC=COCCOC(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,6,9H,5,7-8H2,1-3H3
InChIKeyNNWIUYLOFGBWDL-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
1,2,3-Tris(1-propenoxy)propane
CID 53719872
1-{2-[(Prop-1-en-1-yl)oxy]ethoxy}prop-1-ene
CID 53933835
Bis-(2-allyloxy-propyl) ether
CID 129659935
2-(2-Ethenoxyethoxy)butane
CID 60110729
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
(Z)-1-[2-[(Z)-prop-1-enoxy]ethoxy]prop-1-ene
CID 162397562
(E)-1-fluoro-3-[2-(2-methoxyethoxy)ethoxy]but-2-ene
CID 143384261
1-Prop-2-enoxy-2-(2-prop-2-enoxypropoxy)propane
CID 10171353
(E)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-ene
CID 19986606
3-({1-[(Prop-2-en-1-yl)oxy]propan-2-yl}oxy)prop-1-ene
CID 20365637

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-enoxyethoxy)butane?
The IUPAC name of 2-(2-prop-1-enoxyethoxy)butane (CID 139983710) is 2-(2-prop-1-enoxyethoxy)butane.
What is the SMILES notation for 2-(2-prop-1-enoxyethoxy)butane?
The canonical SMILES for 2-(2-prop-1-enoxyethoxy)butane is CC=COCCOC(C)CC.
What is the InChIKey of 2-(2-prop-1-enoxyethoxy)butane?
The InChIKey is NNWIUYLOFGBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-10-7-8-11-9(3)5-2/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 2-(2-prop-1-enoxyethoxy)butane?
2-(2-prop-1-enoxyethoxy)butane has a molecular weight of 158.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enoxyethoxy)butane is sourced from PubChem (CID 139983710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).