(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one

C11H20O3 — CID 67585850

IUPAC(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one
SMILESCC[C@H](C)CCC1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C11H20O3/c1-3-8(2)4-5-10-6-9(12)7-11(13)14-10/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?/m0/s1
InChIKeyQHWCPKKLUOHOSG-QIIDTADFSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds4

About (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one

(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one (PubChem CID 67585850) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one
PubChem CID67585850
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one
SMILESCC[C@H](C)CCC1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C11H20O3/c1-3-8(2)4-5-10-6-9(12)7-11(13)14-10/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?/m0/s1
InChIKeyQHWCPKKLUOHOSG-QIIDTADFSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one?
The IUPAC name of (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one (CID 67585850) is (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one?
The canonical SMILES for (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one is CC[C@H](C)CCC1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one?
The InChIKey is QHWCPKKLUOHOSG-QIIDTADFSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-8(2)4-5-10-6-9(12)7-11(13)14-10/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?/m0/s1.
What are the key properties of (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one?
(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one is sourced from PubChem (CID 67585850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).