3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene

C10H18O3 — CID 87891590

IUPAC3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(C)OC(C)OCC=C
InChIInChI=1S/C10H18O3/c1-5-7-11-9(3)13-10(4)12-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyJXGQAYIZYVJWHH-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds8

About 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene

3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene (PubChem CID 87891590) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene
PubChem CID87891590
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(C)OC(C)OCC=C
InChIInChI=1S/C10H18O3/c1-5-7-11-9(3)13-10(4)12-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyJXGQAYIZYVJWHH-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
1,1,2,2-Tetrakis(allyloxy)ethane
CID 85528
3,3-Diethoxy-1-propene
CID 62477
Acrolein dimethyl acetal
CID 80145
1,1-Diethoxy-2-butene
CID 99778
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
trans-2-Butenal diethyl acetal
CID 6278424
1-Propene, 3,3'-((1-methylethylidene)bis(oxy))bis-
CID 118792
1,1-Diethoxy-3-methyl-2-butene
CID 5215320
(2E)-1,1,4,4-tetramethoxybut-2-ene
CID 5862719
2-Butene, 1,1,4,4-tetramethoxy-
CID 5382783
3,3,3-Triethoxyprop-1-ene
CID 371778

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene (CID 87891590) is 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene is C=CCOC(C)OC(C)OCC=C.
What is the InChIKey of 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene?
The InChIKey is JXGQAYIZYVJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-7-11-9(3)13-10(4)12-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene?
3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene has a molecular weight of 186.25 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-prop-2-enoxyethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 87891590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).