(5S,6R)-5-methyl-6-pentyloxan-2-one

C11H20O2 — CID 16744446

IUPAC(5S,6R)-5-methyl-6-pentyloxan-2-one
SMILESCCCCC[C@H]1OC(=O)CC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWIFKBFWYBNWBQS-VHSXEESVSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds4

About (5S,6R)-5-methyl-6-pentyloxan-2-one

(5S,6R)-5-methyl-6-pentyloxan-2-one (PubChem CID 16744446) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5S,6R)-5-methyl-6-pentyloxan-2-one.

Molecular Properties

Compound Name(5S,6R)-5-methyl-6-pentyloxan-2-one
PubChem CID16744446
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5S,6R)-5-methyl-6-pentyloxan-2-one
SMILESCCCCC[C@H]1OC(=O)CC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWIFKBFWYBNWBQS-VHSXEESVSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-methyl-6-pentyloxan-2-one?
The IUPAC name of (5S,6R)-5-methyl-6-pentyloxan-2-one (CID 16744446) is (5S,6R)-5-methyl-6-pentyloxan-2-one.
What is the SMILES notation for (5S,6R)-5-methyl-6-pentyloxan-2-one?
The canonical SMILES for (5S,6R)-5-methyl-6-pentyloxan-2-one is CCCCC[C@H]1OC(=O)CC[C@@H]1C.
What is the InChIKey of (5S,6R)-5-methyl-6-pentyloxan-2-one?
The InChIKey is WIFKBFWYBNWBQS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (5S,6R)-5-methyl-6-pentyloxan-2-one?
(5S,6R)-5-methyl-6-pentyloxan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-methyl-6-pentyloxan-2-one is sourced from PubChem (CID 16744446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).