(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane

C9H18O5 — CID 67855478

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
SMILESC1COCO1.CC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O3.C3H6O2/c1-6(2)8-4-5(3-7)9-6;1-2-5-3-4-1/h5,7H,3-4H2,1-2H3;1-3H2
InChIKeyJSVWUUWRVHNXHE-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.12
Rot. Bonds1

About (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane

(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane (PubChem CID 67855478) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
PubChem CID67855478
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
SMILESC1COCO1.CC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O3.C3H6O2/c1-6(2)8-4-5(3-7)9-6;1-2-5-3-4-1/h5,7H,3-4H2,1-2H3;1-3H2
InChIKeyJSVWUUWRVHNXHE-UHFFFAOYSA-N
XLogP0.12
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane (CID 67855478) is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane is C1COCO1.CC1(C)OCC(CO)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane?
The InChIKey is JSVWUUWRVHNXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H6O2/c1-6(2)8-4-5(3-7)9-6;1-2-5-3-4-1/h5,7H,3-4H2,1-2H3;1-3H2.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane?
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane has a molecular weight of 206.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane is sourced from PubChem (CID 67855478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).