(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione

C10H14O4 — CID 10845628

IUPAC(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@]1(CO)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C10H14O4/c1-4-5-10(6-11)7(12)9(2,3)8(13)14-10/h4,11H,1,5-6H2,2-3H3/t10-/m1/s1
InChIKeyZLXACPYBCXYCTD-SNVBAGLBSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds3

About (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione

(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione (PubChem CID 10845628) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
PubChem CID10845628
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@]1(CO)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C10H14O4/c1-4-5-10(6-11)7(12)9(2,3)8(13)14-10/h4,11H,1,5-6H2,2-3H3/t10-/m1/s1
InChIKeyZLXACPYBCXYCTD-SNVBAGLBSA-N
XLogP0.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The IUPAC name of (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione (CID 10845628) is (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione is C=CC[C@]1(CO)OC(=O)C(C)(C)C1=O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The InChIKey is ZLXACPYBCXYCTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-5-10(6-11)7(12)9(2,3)8(13)14-10/h4,11H,1,5-6H2,2-3H3/t10-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 10845628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).