3-methyloctan-4-one;yttrium

C9H17OY- — CID 58599912

IUPAC3-methyloctan-4-one;yttrium
SMILESCC[CH-]CC(=O)C(C)CC.[Y]
InChIInChI=1S/C9H17O.Y/c1-4-6-7-9(10)8(3)5-2;/h6,8H,4-5,7H2,1-3H3;/q-1;
InChIKeyNFXKYVQNMTYTRF-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.60
Rot. Bonds5

About 3-methyloctan-4-one;yttrium

3-methyloctan-4-one;yttrium (PubChem CID 58599912) has the molecular formula C9H17OY- and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-methyloctan-4-one;yttrium.

Molecular Properties

Compound Name3-methyloctan-4-one;yttrium
PubChem CID58599912
Molecular FormulaC9H17OY-
Molecular Weight230.14 g/mol
Exact Mass230.03
IUPAC Name3-methyloctan-4-one;yttrium
SMILESCC[CH-]CC(=O)C(C)CC.[Y]
InChIInChI=1S/C9H17O.Y/c1-4-6-7-9(10)8(3)5-2;/h6,8H,4-5,7H2,1-3H3;/q-1;
InChIKeyNFXKYVQNMTYTRF-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;5-methyl-4-oxoheptanoic acid;yttrium
CID 158695550
2,5-dimethylheptan-4-one
CID 12580686
2,19-dimethylhenicosane-3,18-dione
CID 138498522
1,2-dihydroxy-5-methylheptan-4-one
CID 168860492
(5S)-1,2-dihydroxy-5-methylheptan-4-one
CID 168860493
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
(5S)-5-methylheptane-2,4-dione
CID 59270261
9-methylundecane-2,8-dione
CID 178033213
8-methyl-7-oxodecanoic acid
CID 121216549
(2S,5S)-5-methyl-2-sulfanylheptan-4-one
CID 129391433
4-methyl-3-oxohexanamide
CID 91421150
5-methyl-4-oxoheptanoic acid
CID 21365481

Frequently Asked Questions

What is the IUPAC name of 3-methyloctan-4-one;yttrium?
The IUPAC name of 3-methyloctan-4-one;yttrium (CID 58599912) is 3-methyloctan-4-one;yttrium.
What is the SMILES notation for 3-methyloctan-4-one;yttrium?
The canonical SMILES for 3-methyloctan-4-one;yttrium is CC[CH-]CC(=O)C(C)CC.[Y].
What is the InChIKey of 3-methyloctan-4-one;yttrium?
The InChIKey is NFXKYVQNMTYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O.Y/c1-4-6-7-9(10)8(3)5-2;/h6,8H,4-5,7H2,1-3H3;/q-1;.
What are the key properties of 3-methyloctan-4-one;yttrium?
3-methyloctan-4-one;yttrium has a molecular weight of 230.14 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloctan-4-one;yttrium is sourced from PubChem (CID 58599912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).