3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol

C14H24O4 — CID 87248523

IUPAC3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol
SMILESCC=COCC(CO)(COC=CC)COC=CC
InChIInChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-9,15H,10-13H2,1-3H3
InChIKeyWBDATGNILMCISW-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.62
Rot. Bonds10

About 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol

3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol (PubChem CID 87248523) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol.

Molecular Properties

Compound Name3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol
PubChem CID87248523
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol
SMILESCC=COCC(CO)(COC=CC)COC=CC
InChIInChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-9,15H,10-13H2,1-3H3
InChIKeyWBDATGNILMCISW-UHFFFAOYSA-N
XLogP2.62
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol?
The IUPAC name of 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol (CID 87248523) is 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol.
What is the SMILES notation for 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol?
The canonical SMILES for 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol is CC=COCC(CO)(COC=CC)COC=CC.
What is the InChIKey of 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol?
The InChIKey is WBDATGNILMCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-9,15H,10-13H2,1-3H3.
What are the key properties of 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol?
3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol has a molecular weight of 256.34 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propan-1-ol is sourced from PubChem (CID 87248523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).