(Z)-2,5,5,8-tetramethylnon-6-en-3-one

C13H24O — CID 130218616

IUPAC(Z)-2,5,5,8-tetramethylnon-6-en-3-one
SMILESCC(C)/C=C\C(C)(C)CC(=O)C(C)C
InChIInChI=1S/C13H24O/c1-10(2)7-8-13(5,6)9-12(14)11(3)4/h7-8,10-11H,9H2,1-6H3/b8-7-
InChIKeyKXJPDHUJTOTYCD-FPLPWBNLSA-N
MW196.33 g/mol
LogP3.84
Rot. Bonds5

About (Z)-2,5,5,8-tetramethylnon-6-en-3-one

(Z)-2,5,5,8-tetramethylnon-6-en-3-one (PubChem CID 130218616) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (Z)-2,5,5,8-tetramethylnon-6-en-3-one.

Molecular Properties

Compound Name(Z)-2,5,5,8-tetramethylnon-6-en-3-one
PubChem CID130218616
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(Z)-2,5,5,8-tetramethylnon-6-en-3-one
SMILESCC(C)/C=C\C(C)(C)CC(=O)C(C)C
InChIInChI=1S/C13H24O/c1-10(2)7-8-13(5,6)9-12(14)11(3)4/h7-8,10-11H,9H2,1-6H3/b8-7-
InChIKeyKXJPDHUJTOTYCD-FPLPWBNLSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.84
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)-2,5,5,8-tetramethylnon-6-en-3-one?
The IUPAC name of (Z)-2,5,5,8-tetramethylnon-6-en-3-one (CID 130218616) is (Z)-2,5,5,8-tetramethylnon-6-en-3-one.
What is the SMILES notation for (Z)-2,5,5,8-tetramethylnon-6-en-3-one?
The canonical SMILES for (Z)-2,5,5,8-tetramethylnon-6-en-3-one is CC(C)/C=C\C(C)(C)CC(=O)C(C)C.
What is the InChIKey of (Z)-2,5,5,8-tetramethylnon-6-en-3-one?
The InChIKey is KXJPDHUJTOTYCD-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)7-8-13(5,6)9-12(14)11(3)4/h7-8,10-11H,9H2,1-6H3/b8-7-.
What are the key properties of (Z)-2,5,5,8-tetramethylnon-6-en-3-one?
(Z)-2,5,5,8-tetramethylnon-6-en-3-one has a molecular weight of 196.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5,5,8-tetramethylnon-6-en-3-one is sourced from PubChem (CID 130218616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).