1,2-bis(ethenoxy)propan-2-ol

C7H12O3 — CID 150121763

IUPAC1,2-bis(ethenoxy)propan-2-ol
SMILESC=COCC(C)(O)OC=C
InChIInChI=1S/C7H12O3/c1-4-9-6-7(3,8)10-5-2/h4-5,8H,1-2,6H2,3H3
InChIKeyDZJVKPKUZNEOOP-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.02
Rot. Bonds5

About 1,2-bis(ethenoxy)propan-2-ol

1,2-bis(ethenoxy)propan-2-ol (PubChem CID 150121763) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1,2-bis(ethenoxy)propan-2-ol.

Molecular Properties

Compound Name1,2-bis(ethenoxy)propan-2-ol
PubChem CID150121763
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1,2-bis(ethenoxy)propan-2-ol
SMILESC=COCC(C)(O)OC=C
InChIInChI=1S/C7H12O3/c1-4-9-6-7(3,8)10-5-2/h4-5,8H,1-2,6H2,3H3
InChIKeyDZJVKPKUZNEOOP-UHFFFAOYSA-N
XLogP1.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(ethenoxy)-2,2-dimethylpropane
CID 3019753
2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 22253212
1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
CID 23539973
1-ethenoxy-2,2-dimethyldecane
CID 19077777
1-chloro-1,1-bis(ethenoxy)ethane
CID 24973192
2-ethenoxypropan-2-amine
CID 154086052
2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
CID 166530667
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
CID 87315894
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
2-ethenoxy-1,2-diethoxypropane
CID 173023093
1-ethenoxy-4,4-dimethylpentane
CID 58671996
[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
CID 123619100

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenoxy)propan-2-ol?
The IUPAC name of 1,2-bis(ethenoxy)propan-2-ol (CID 150121763) is 1,2-bis(ethenoxy)propan-2-ol.
What is the SMILES notation for 1,2-bis(ethenoxy)propan-2-ol?
The canonical SMILES for 1,2-bis(ethenoxy)propan-2-ol is C=COCC(C)(O)OC=C.
What is the InChIKey of 1,2-bis(ethenoxy)propan-2-ol?
The InChIKey is DZJVKPKUZNEOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-9-6-7(3,8)10-5-2/h4-5,8H,1-2,6H2,3H3.
What are the key properties of 1,2-bis(ethenoxy)propan-2-ol?
1,2-bis(ethenoxy)propan-2-ol has a molecular weight of 144.17 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenoxy)propan-2-ol is sourced from PubChem (CID 150121763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).