adamantan-2-one;ethane

C12H20O — CID 91518879

IUPACadamantan-2-one;ethane
SMILESCC.O=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14O.C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2/h6-9H,1-5H2;1-2H3
InChIKeyBZGOVLYLFSAEPH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds

About adamantan-2-one;ethane

adamantan-2-one;ethane (PubChem CID 91518879) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is adamantan-2-one;ethane.

Molecular Properties

Compound Nameadamantan-2-one;ethane
PubChem CID91518879
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameadamantan-2-one;ethane
SMILESCC.O=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14O.C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2/h6-9H,1-5H2;1-2H3
InChIKeyBZGOVLYLFSAEPH-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze adamantan-2-one;ethane 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
Dicyclohexyl ketone
CID 8403
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
CID 123126
1-(Adamantan-1-yl)propan-2-one
CID 3686351
Tricyclo(3.3.1.13,7)decane-2,6-dione
CID 142368
2-Acetyladamantane
CID 11298285
5-Fluoroadamantan-2-one
CID 12653455
Cyclopentanone, 2-(1-adamantyl)-
CID 584847
2,6-Dicyclohexylcyclohexan-1-one
CID 316178
Diamantanone
CID 141569
1-(1-Adamantyl)propan-1-one
CID 526924
3-(1-Adamantyl)-2,4-pentanedione
CID 584545

Frequently Asked Questions

What is the IUPAC name of adamantan-2-one;ethane?
The IUPAC name of adamantan-2-one;ethane (CID 91518879) is adamantan-2-one;ethane.
What is the SMILES notation for adamantan-2-one;ethane?
The canonical SMILES for adamantan-2-one;ethane is CC.O=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of adamantan-2-one;ethane?
The InChIKey is BZGOVLYLFSAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2/h6-9H,1-5H2;1-2H3.
What are the key properties of adamantan-2-one;ethane?
adamantan-2-one;ethane has a molecular weight of 180.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-one;ethane is sourced from PubChem (CID 91518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).