4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one

C10H16O5 — CID 102511849

IUPAC4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one
SMILESCC1(C)OC(C2COC(=O)O2)CCC1O
InChIInChI=1S/C10H16O5/c1-10(2)8(11)4-3-6(15-10)7-5-13-9(12)14-7/h6-8,11H,3-5H2,1-2H3
InChIKeyWADSSLQSJHENAD-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.84
Rot. Bonds1

About 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one

4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one (PubChem CID 102511849) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one
PubChem CID102511849
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one
SMILESCC1(C)OC(C2COC(=O)O2)CCC1O
InChIInChI=1S/C10H16O5/c1-10(2)8(11)4-3-6(15-10)7-5-13-9(12)14-7/h6-8,11H,3-5H2,1-2H3
InChIKeyWADSSLQSJHENAD-UHFFFAOYSA-N
XLogP0.84
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one (CID 102511849) is 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one is CC1(C)OC(C2COC(=O)O2)CCC1O.
What is the InChIKey of 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one?
The InChIKey is WADSSLQSJHENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2)8(11)4-3-6(15-10)7-5-13-9(12)14-7/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one?
4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-6,6-dimethyloxan-2-yl)-1,3-dioxolan-2-one is sourced from PubChem (CID 102511849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).