(9R)-9-ethyloxonan-2-one

C10H18O2 — CID 54340758

IUPAC(9R)-9-ethyloxonan-2-one
SMILESCC[C@@H]1CCCCCCC(=O)O1
InChIInChI=1S/C10H18O2/c1-2-9-7-5-3-4-6-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyTYTZQSCKYUDJIW-SECBINFHSA-N
MW170.25 g/mol
LogP2.66
Rot. Bonds1

About (9R)-9-ethyloxonan-2-one

(9R)-9-ethyloxonan-2-one (PubChem CID 54340758) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (9R)-9-ethyloxonan-2-one.

Molecular Properties

Compound Name(9R)-9-ethyloxonan-2-one
PubChem CID54340758
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(9R)-9-ethyloxonan-2-one
SMILESCC[C@@H]1CCCCCCC(=O)O1
InChIInChI=1S/C10H18O2/c1-2-9-7-5-3-4-6-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyTYTZQSCKYUDJIW-SECBINFHSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-ethyloxonan-2-one?
The IUPAC name of (9R)-9-ethyloxonan-2-one (CID 54340758) is (9R)-9-ethyloxonan-2-one.
What is the SMILES notation for (9R)-9-ethyloxonan-2-one?
The canonical SMILES for (9R)-9-ethyloxonan-2-one is CC[C@@H]1CCCCCCC(=O)O1.
What is the InChIKey of (9R)-9-ethyloxonan-2-one?
The InChIKey is TYTZQSCKYUDJIW-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-9-7-5-3-4-6-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (9R)-9-ethyloxonan-2-one?
(9R)-9-ethyloxonan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-ethyloxonan-2-one is sourced from PubChem (CID 54340758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).