1-(1-adamantyl)pentan-2-one

C15H24O — CID 12619333

IUPAC1-(1-adamantyl)pentan-2-one
SMILESCCCC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3
InChIKeyPHGPLFVSUCURNX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds4

About 1-(1-adamantyl)pentan-2-one

1-(1-adamantyl)pentan-2-one (PubChem CID 12619333) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(1-adamantyl)pentan-2-one.

Molecular Properties

Compound Name1-(1-adamantyl)pentan-2-one
PubChem CID12619333
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(1-adamantyl)pentan-2-one
SMILESCCCC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24O/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3
InChIKeyPHGPLFVSUCURNX-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-adamantyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adamantanone
CID 64151
Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone
CID 197820
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
CID 123126
1-(Adamantan-1-yl)propan-2-one
CID 3686351
1-(3,3-Dimethylcyclohexyl)ethanone
CID 91388
Cyclohexanone, 2-ethyl-4,4-dimethyl-
CID 11126487
7,9-Dimethylspiro(5.5)undecan-3-one
CID 23513562
Tricyclo(3.3.1.13,7)decane-2,6-dione
CID 142368
1-(1-Adamantyl)-2-bromopropan-1-one
CID 2769945
2-Acetyladamantane
CID 11298285
5-Fluoroadamantan-2-one
CID 12653455
1-Adamantanecarboxaldehyde
CID 11041050

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)pentan-2-one?
The IUPAC name of 1-(1-adamantyl)pentan-2-one (CID 12619333) is 1-(1-adamantyl)pentan-2-one.
What is the SMILES notation for 1-(1-adamantyl)pentan-2-one?
The canonical SMILES for 1-(1-adamantyl)pentan-2-one is CCCC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)pentan-2-one?
The InChIKey is PHGPLFVSUCURNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1-adamantyl)pentan-2-one?
1-(1-adamantyl)pentan-2-one has a molecular weight of 220.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)pentan-2-one is sourced from PubChem (CID 12619333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).