3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one

C16H24O10 — CID 18596296

IUPAC3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one
SMILESCC1(C)C2(O)O[C@@H]3[C@H](O)COC(=O)[C@@]3(O)[C@]12O.CC1(C)COC(=O)C1O
InChIInChI=1S/C10H14O7.C6H10O3/c1-7(2)9(14)8(13)5(17-10(7,9)15)4(11)3-16-6(8)12;1-6(2)3-9-5(8)4(6)7/h4-5,11,13-15H,3H2,1-2H3;4,7H,3H2,1-2H3/t4-,5-,8-,9-,10?;/m1./s1
InChIKeyJRRYCBOIDRGQOC-ZSFLILQZSA-N
MW376.36 g/mol
LogP-2.58
Rot. Bonds

About 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one

3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one (PubChem CID 18596296) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one
PubChem CID18596296
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one
SMILESCC1(C)C2(O)O[C@@H]3[C@H](O)COC(=O)[C@@]3(O)[C@]12O.CC1(C)COC(=O)C1O
InChIInChI=1S/C10H14O7.C6H10O3/c1-7(2)9(14)8(13)5(17-10(7,9)15)4(11)3-16-6(8)12;1-6(2)3-9-5(8)4(6)7/h4-5,11,13-15H,3H2,1-2H3;4,7H,3H2,1-2H3/t4-,5-,8-,9-,10?;/m1./s1
InChIKeyJRRYCBOIDRGQOC-ZSFLILQZSA-N
XLogP-2.58
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one?
The IUPAC name of 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one (CID 18596296) is 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one.
What is the SMILES notation for 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one?
The canonical SMILES for 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one is CC1(C)C2(O)O[C@@H]3[C@H](O)COC(=O)[C@@]3(O)[C@]12O.CC1(C)COC(=O)C1O.
What is the InChIKey of 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one?
The InChIKey is JRRYCBOIDRGQOC-ZSFLILQZSA-N. The full InChI is InChI=1S/C10H14O7.C6H10O3/c1-7(2)9(14)8(13)5(17-10(7,9)15)4(11)3-16-6(8)12;1-6(2)3-9-5(8)4(6)7/h4-5,11,13-15H,3H2,1-2H3;4,7H,3H2,1-2H3/t4-,5-,8-,9-,10?;/m1./s1.
What are the key properties of 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one?
3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one has a molecular weight of 376.36 g/mol, XLogP of -2.58, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one is sourced from PubChem (CID 18596296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).