2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol

C10H18O3 — CID 88611425

IUPAC2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
SMILESC=CCOCC(=C)CC(CO)CO
InChIInChI=1S/C10H18O3/c1-3-4-13-8-9(2)5-10(6-11)7-12/h3,10-12H,1-2,4-8H2
InChIKeyIEFMJWJGKNOSCE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.74
Rot. Bonds8

About 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol

2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol (PubChem CID 88611425) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
PubChem CID88611425
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol
SMILESC=CCOCC(=C)CC(CO)CO
InChIInChI=1S/C10H18O3/c1-3-4-13-8-9(2)5-10(6-11)7-12/h3,10-12H,1-2,4-8H2
InChIKeyIEFMJWJGKNOSCE-UHFFFAOYSA-N
XLogP0.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
2-(prop-2-enoxymethyl)butane-1,4-diol
CID 141296364
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
(3S,4S)-3,4,5-trihydroxy-1-prop-2-enoxypentan-2-one
CID 54142770
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
CID 102121537
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 155660539
2-prop-2-enylpent-4-en-1-ol
CID 14895210
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3,4,5,6-tetrahydroxy-1-prop-2-enoxyhexan-2-one
CID 13054444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol?
The IUPAC name of 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol (CID 88611425) is 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol is C=CCOCC(=C)CC(CO)CO.
What is the InChIKey of 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol?
The InChIKey is IEFMJWJGKNOSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-13-8-9(2)5-10(6-11)7-12/h3,10-12H,1-2,4-8H2.
What are the key properties of 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol?
2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol has a molecular weight of 186.25 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-enoxymethyl)prop-2-enyl]propane-1,3-diol is sourced from PubChem (CID 88611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).