(Z,5R)-5-propan-2-yloct-6-en-2-one

C11H20O — CID 166881675

IUPAC(Z,5R)-5-propan-2-yloct-6-en-2-one
SMILESC/C=C\C(CCC(C)=O)C(C)C
InChIInChI=1S/C11H20O/c1-5-6-11(9(2)3)8-7-10(4)12/h5-6,9,11H,7-8H2,1-4H3/b6-5-
InChIKeyYULWYIPKXMGZAY-WAYWQWQTSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds5

About (Z,5R)-5-propan-2-yloct-6-en-2-one

(Z,5R)-5-propan-2-yloct-6-en-2-one (PubChem CID 166881675) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z,5R)-5-propan-2-yloct-6-en-2-one.

Molecular Properties

Compound Name(Z,5R)-5-propan-2-yloct-6-en-2-one
PubChem CID166881675
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z,5R)-5-propan-2-yloct-6-en-2-one
SMILESC/C=C\C(CCC(C)=O)C(C)C
InChIInChI=1S/C11H20O/c1-5-6-11(9(2)3)8-7-10(4)12/h5-6,9,11H,7-8H2,1-4H3/b6-5-
InChIKeyYULWYIPKXMGZAY-WAYWQWQTSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z,5R)-5-propan-2-yloct-6-en-2-one?
The IUPAC name of (Z,5R)-5-propan-2-yloct-6-en-2-one (CID 166881675) is (Z,5R)-5-propan-2-yloct-6-en-2-one.
What is the SMILES notation for (Z,5R)-5-propan-2-yloct-6-en-2-one?
The canonical SMILES for (Z,5R)-5-propan-2-yloct-6-en-2-one is C/C=C\C(CCC(C)=O)C(C)C.
What is the InChIKey of (Z,5R)-5-propan-2-yloct-6-en-2-one?
The InChIKey is YULWYIPKXMGZAY-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-11(9(2)3)8-7-10(4)12/h5-6,9,11H,7-8H2,1-4H3/b6-5-.
What are the key properties of (Z,5R)-5-propan-2-yloct-6-en-2-one?
(Z,5R)-5-propan-2-yloct-6-en-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-propan-2-yloct-6-en-2-one is sourced from PubChem (CID 166881675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).