1-methylalumanyl-7-phenylheptan-4-one

C14H21AlO — CID 173147112

IUPAC1-methylalumanyl-7-phenylheptan-4-one
SMILESC[AlH]CCCC(=O)CCCc1ccccc1
InChIInChI=1S/C13H17O.CH3.Al.H/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12;;;/h3-5,8-9H,1-2,6-7,10-11H2;1H3;;
InChIKeyOLVNPOSFAJRLBC-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.26
Rot. Bonds8

About 1-methylalumanyl-7-phenylheptan-4-one

1-methylalumanyl-7-phenylheptan-4-one (PubChem CID 173147112) has the molecular formula C14H21AlO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-methylalumanyl-7-phenylheptan-4-one.

Molecular Properties

Compound Name1-methylalumanyl-7-phenylheptan-4-one
PubChem CID173147112
Molecular FormulaC14H21AlO
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-methylalumanyl-7-phenylheptan-4-one
SMILESC[AlH]CCCC(=O)CCCc1ccccc1
InChIInChI=1S/C13H17O.CH3.Al.H/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12;;;/h3-5,8-9H,1-2,6-7,10-11H2;1H3;;
InChIKeyOLVNPOSFAJRLBC-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,9-diphenylnonan-5-one
CID 23467830
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
8-amino-1-phenyloctan-4-one
CID 116571907
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
5-phenylpentan-2-one
CID 16701
1-phenyloct-7-yn-4-one
CID 105100787
methyl 3-oxo-6-phenylhexanoate
CID 12701554
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
6-oxo-9-phenylnonanenitrile
CID 12034522
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516

Frequently Asked Questions

What is the IUPAC name of 1-methylalumanyl-7-phenylheptan-4-one?
The IUPAC name of 1-methylalumanyl-7-phenylheptan-4-one (CID 173147112) is 1-methylalumanyl-7-phenylheptan-4-one.
What is the SMILES notation for 1-methylalumanyl-7-phenylheptan-4-one?
The canonical SMILES for 1-methylalumanyl-7-phenylheptan-4-one is C[AlH]CCCC(=O)CCCc1ccccc1.
What is the InChIKey of 1-methylalumanyl-7-phenylheptan-4-one?
The InChIKey is OLVNPOSFAJRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O.CH3.Al.H/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12;;;/h3-5,8-9H,1-2,6-7,10-11H2;1H3;;.
What are the key properties of 1-methylalumanyl-7-phenylheptan-4-one?
1-methylalumanyl-7-phenylheptan-4-one has a molecular weight of 232.30 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylalumanyl-7-phenylheptan-4-one is sourced from PubChem (CID 173147112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).