2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene

C11H22O5 — CID 87248422

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
SMILESC/C=C\O/C=C\C.OCC(CO)(CO)CO
InChIInChI=1S/C6H10O.C5H12O4/c1-3-5-7-6-4-2;6-1-5(2-7,3-8)4-9/h3-6H,1-2H3;6-9H,1-4H2/b5-3-,6-4-;
InChIKeyZXUDIYIWCMTYLX-VIOUERSGSA-N
MW234.29 g/mol
LogP0.01
Rot. Bonds6

About 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene

2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene (PubChem CID 87248422) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
PubChem CID87248422
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
SMILESC/C=C\O/C=C\C.OCC(CO)(CO)CO
InChIInChI=1S/C6H10O.C5H12O4/c1-3-5-7-6-4-2;6-1-5(2-7,3-8)4-9/h3-6H,1-2H3;6-9H,1-4H2/b5-3-,6-4-;
InChIKeyZXUDIYIWCMTYLX-VIOUERSGSA-N
XLogP0.01
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene (CID 87248422) is 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene is C/C=C\O/C=C\C.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
The InChIKey is ZXUDIYIWCMTYLX-VIOUERSGSA-N. The full InChI is InChI=1S/C6H10O.C5H12O4/c1-3-5-7-6-4-2;6-1-5(2-7,3-8)4-9/h3-6H,1-2H3;6-9H,1-4H2/b5-3-,6-4-;.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene?
2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene has a molecular weight of 234.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene is sourced from PubChem (CID 87248422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).