ethenoxyethane;propane-1,2-diol

C7H16O3 — CID 87233318

IUPACethenoxyethane;propane-1,2-diol
SMILESC=COCC.CC(O)CO
InChIInChI=1S/C4H8O.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3H,1,4H2,2H3;3-5H,2H2,1H3
InChIKeyFXLAKVZZGJIGHV-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.53
Rot. Bonds3

About ethenoxyethane;propane-1,2-diol

ethenoxyethane;propane-1,2-diol (PubChem CID 87233318) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is ethenoxyethane;propane-1,2-diol.

Molecular Properties

Compound Nameethenoxyethane;propane-1,2-diol
PubChem CID87233318
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Nameethenoxyethane;propane-1,2-diol
SMILESC=COCC.CC(O)CO
InChIInChI=1S/C4H8O.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3H,1,4H2,2H3;3-5H,2H2,1H3
InChIKeyFXLAKVZZGJIGHV-UHFFFAOYSA-N
XLogP0.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2-diol;bis(prop-1-ene)
CID 87325568
ethene;ethoxyethane;propane-1,2-diol
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propane-1,2-diol
CID 23506506
but-3-en-2-one;ethenoxyethane
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4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
ethoxyperoxyethane;propane-1,2-diol
CID 87183178
(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
methoxymethane;propane-1,2-diol
CID 23435252
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
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CID 158521790

Frequently Asked Questions

What is the IUPAC name of ethenoxyethane;propane-1,2-diol?
The IUPAC name of ethenoxyethane;propane-1,2-diol (CID 87233318) is ethenoxyethane;propane-1,2-diol.
What is the SMILES notation for ethenoxyethane;propane-1,2-diol?
The canonical SMILES for ethenoxyethane;propane-1,2-diol is C=COCC.CC(O)CO.
What is the InChIKey of ethenoxyethane;propane-1,2-diol?
The InChIKey is FXLAKVZZGJIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3H,1,4H2,2H3;3-5H,2H2,1H3.
What are the key properties of ethenoxyethane;propane-1,2-diol?
ethenoxyethane;propane-1,2-diol has a molecular weight of 148.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;propane-1,2-diol is sourced from PubChem (CID 87233318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).