1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane

C28H46O7 — CID 142315123

IUPAC1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane
SMILESCC=COCC(COC=CC)(COC=CC)COCC(COC=CC)(COC=CC)COC=CC
InChIInChI=1S/C28H46O7/c1-7-13-29-19-27(20-30-14-8-2,21-31-15-9-3)25-35-26-28(22-32-16-10-4,23-33-17-11-5)24-34-18-12-6/h7-18H,19-26H2,1-6H3
InChIKeyWZSNNNCOFFRDAX-UHFFFAOYSA-N
MW494.67 g/mol
LogP6.28
Rot. Bonds22

About 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane

1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane (PubChem CID 142315123) has the molecular formula C28H46O7 and a molecular weight of 494.67 g/mol. Its IUPAC name is 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane
PubChem CID142315123
Molecular FormulaC28H46O7
Molecular Weight494.67 g/mol
Exact Mass494.32
IUPAC Name1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane
SMILESCC=COCC(COC=CC)(COC=CC)COCC(COC=CC)(COC=CC)COC=CC
InChIInChI=1S/C28H46O7/c1-7-13-29-19-27(20-30-14-8-2,21-31-15-9-3)25-35-26-28(22-32-16-10-4,23-33-17-11-5)24-34-18-12-6/h7-18H,19-26H2,1-6H3
InChIKeyWZSNNNCOFFRDAX-UHFFFAOYSA-N
XLogP6.28
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.67
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?
The IUPAC name of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane (CID 142315123) is 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane.
What is the SMILES notation for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?
The canonical SMILES for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane is CC=COCC(COC=CC)(COC=CC)COCC(COC=CC)(COC=CC)COC=CC.
What is the InChIKey of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?
The InChIKey is WZSNNNCOFFRDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O7/c1-7-13-29-19-27(20-30-14-8-2,21-31-15-9-3)25-35-26-28(22-32-16-10-4,23-33-17-11-5)24-34-18-12-6/h7-18H,19-26H2,1-6H3.
What are the key properties of 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane?
1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane has a molecular weight of 494.67 g/mol, XLogP of 6.28, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-enoxy)-2-[[3-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)propoxy]methyl]-2-(prop-1-enoxymethyl)propane is sourced from PubChem (CID 142315123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).