(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one

C10H16O3 — CID 59891925

IUPAC(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one
SMILESC=C(C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H16O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6-9,11H,1H2,2-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyVUXOBKFLOJYRPE-FNCVBFRFSA-N
MW184.23 g/mol
LogP1.12
Rot. Bonds1

About (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one

(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one (PubChem CID 59891925) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one
PubChem CID59891925
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one
SMILESC=C(C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H16O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6-9,11H,1H2,2-4H3/t6-,7-,8-,9-/m1/s1
InChIKeyVUXOBKFLOJYRPE-FNCVBFRFSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one?
The IUPAC name of (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one (CID 59891925) is (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one.
What is the SMILES notation for (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one?
The canonical SMILES for (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one is C=C(C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one?
The InChIKey is VUXOBKFLOJYRPE-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H16O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h6-9,11H,1H2,2-4H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one?
(3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-4-hydroxy-3,5-dimethyl-6-prop-1-en-2-yloxan-2-one is sourced from PubChem (CID 59891925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).