(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol

C11H18O4 — CID 59658485

IUPAC(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol
SMILESC=CC1OC(/C=C/CO)C(CO)C1CO
InChIInChI=1S/C11H18O4/c1-2-10-8(6-13)9(7-14)11(15-10)4-3-5-12/h2-4,8-14H,1,5-7H2/b4-3+
InChIKeyJZNQUQKPJCUKRE-ONEGZZNKSA-N
MW214.26 g/mol
LogP-0.29
Rot. Bonds5

About (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol

(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol (PubChem CID 59658485) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol
PubChem CID59658485
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol
SMILESC=CC1OC(/C=C/CO)C(CO)C1CO
InChIInChI=1S/C11H18O4/c1-2-10-8(6-13)9(7-14)11(15-10)4-3-5-12/h2-4,8-14H,1,5-7H2/b4-3+
InChIKeyJZNQUQKPJCUKRE-ONEGZZNKSA-N
XLogP-0.29
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol (CID 59658485) is (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol is C=CC1OC(/C=C/CO)C(CO)C1CO.
What is the InChIKey of (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol?
The InChIKey is JZNQUQKPJCUKRE-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-10-8(6-13)9(7-14)11(15-10)4-3-5-12/h2-4,8-14H,1,5-7H2/b4-3+.
What are the key properties of (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol?
(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol has a molecular weight of 214.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 59658485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).