3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol

C9H18O5 — CID 13458799

IUPAC3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol
SMILESCC1(C)OCC(COCC(O)CO)O1
InChIInChI=1S/C9H18O5/c1-9(2)13-6-8(14-9)5-12-4-7(11)3-10/h7-8,10-11H,3-6H2,1-2H3
InChIKeyWWCPVKFMGFBDNY-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.49
Rot. Bonds5

About 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol (PubChem CID 13458799) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol
PubChem CID13458799
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol
SMILESCC1(C)OCC(COCC(O)CO)O1
InChIInChI=1S/C9H18O5/c1-9(2)13-6-8(14-9)5-12-4-7(11)3-10/h7-8,10-11H,3-6H2,1-2H3
InChIKeyWWCPVKFMGFBDNY-UHFFFAOYSA-N
XLogP-0.49
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol (CID 13458799) is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol is CC1(C)OCC(COCC(O)CO)O1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol?
The InChIKey is WWCPVKFMGFBDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-9(2)13-6-8(14-9)5-12-4-7(11)3-10/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol?
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propane-1,2-diol is sourced from PubChem (CID 13458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).