2-(ethoxymethoxy)prop-1-ene

C6H12O2 — CID 20770086

IUPAC2-(ethoxymethoxy)prop-1-ene
SMILESC=C(C)OCOCC
InChIInChI=1S/C6H12O2/c1-4-7-5-8-6(2)3/h2,4-5H2,1,3H3
InChIKeyJKVNXWYWMGRVBU-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.53
Rot. Bonds4

About 2-(ethoxymethoxy)prop-1-ene

2-(ethoxymethoxy)prop-1-ene (PubChem CID 20770086) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(ethoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(ethoxymethoxy)prop-1-ene
PubChem CID20770086
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(ethoxymethoxy)prop-1-ene
SMILESC=C(C)OCOCC
InChIInChI=1S/C6H12O2/c1-4-7-5-8-6(2)3/h2,4-5H2,1,3H3
InChIKeyJKVNXWYWMGRVBU-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.53
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Iodo-2-(methoxymethoxy)prop-1-ene
CID 10513512
1,3-Dioxole, 4-methyl-
CID 518996
Propa-1,2-dienoxymethoxymethane
CID 10986163
2,2,4-Trimethyl-2H-1,3-dioxole
CID 12339049
Ethyl isopropenyl carbonate
CID 12632745
Methyl prop-1-en-2-yl carbonate
CID 12632746
2-Butoxymethoxypropylene
CID 21305908
2-Methoxy-4-methyl-1,3-dioxole
CID 85761265
2-Methoxy-2,4-dimethyl-1,3-dioxole
CID 85761268
2-((2-Methoxyethoxy)methoxy)-1-propene
CID 376762
2,4-Dimethyl-1,3-dioxole
CID 139820
1,2-Propadiene, 1-(1-ethoxyethoxy)-
CID 11366998

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)prop-1-ene?
The IUPAC name of 2-(ethoxymethoxy)prop-1-ene (CID 20770086) is 2-(ethoxymethoxy)prop-1-ene.
What is the SMILES notation for 2-(ethoxymethoxy)prop-1-ene?
The canonical SMILES for 2-(ethoxymethoxy)prop-1-ene is C=C(C)OCOCC.
What is the InChIKey of 2-(ethoxymethoxy)prop-1-ene?
The InChIKey is JKVNXWYWMGRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-7-5-8-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 2-(ethoxymethoxy)prop-1-ene?
2-(ethoxymethoxy)prop-1-ene has a molecular weight of 116.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)prop-1-ene is sourced from PubChem (CID 20770086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).