(4S,10R)-4-hydroxy-10-methyloxecan-2-one

C10H18O3 — CID 101412563

IUPAC(4S,10R)-4-hydroxy-10-methyloxecan-2-one
SMILESC[C@@H]1CCCCC[C@H](O)CC(=O)O1
InChIInChI=1S/C10H18O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFYKUVQXVABYKIC-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.63
Rot. Bonds

About (4S,10R)-4-hydroxy-10-methyloxecan-2-one

(4S,10R)-4-hydroxy-10-methyloxecan-2-one (PubChem CID 101412563) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4S,10R)-4-hydroxy-10-methyloxecan-2-one.

Molecular Properties

Compound Name(4S,10R)-4-hydroxy-10-methyloxecan-2-one
PubChem CID101412563
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(4S,10R)-4-hydroxy-10-methyloxecan-2-one
SMILESC[C@@H]1CCCCC[C@H](O)CC(=O)O1
InChIInChI=1S/C10H18O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFYKUVQXVABYKIC-BDAKNGLRSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,10R)-4-hydroxy-10-methyloxecan-2-one?
The IUPAC name of (4S,10R)-4-hydroxy-10-methyloxecan-2-one (CID 101412563) is (4S,10R)-4-hydroxy-10-methyloxecan-2-one.
What is the SMILES notation for (4S,10R)-4-hydroxy-10-methyloxecan-2-one?
The canonical SMILES for (4S,10R)-4-hydroxy-10-methyloxecan-2-one is C[C@@H]1CCCCC[C@H](O)CC(=O)O1.
What is the InChIKey of (4S,10R)-4-hydroxy-10-methyloxecan-2-one?
The InChIKey is FYKUVQXVABYKIC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (4S,10R)-4-hydroxy-10-methyloxecan-2-one?
(4S,10R)-4-hydroxy-10-methyloxecan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,10R)-4-hydroxy-10-methyloxecan-2-one is sourced from PubChem (CID 101412563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).