acetaldehyde;adamantan-1-ol

C12H20O2 — CID 175101814

IUPACacetaldehyde;adamantan-1-ol
SMILESCC=O.OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H16O.C2H4O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3/h7-9,11H,1-6H2;2H,1H3
InChIKeyOPUVAQFKDKSYEZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds

About acetaldehyde;adamantan-1-ol

acetaldehyde;adamantan-1-ol (PubChem CID 175101814) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is acetaldehyde;adamantan-1-ol.

Molecular Properties

Compound Nameacetaldehyde;adamantan-1-ol
PubChem CID175101814
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameacetaldehyde;adamantan-1-ol
SMILESCC=O.OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H16O.C2H4O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3/h7-9,11H,1-6H2;2H,1H3
InChIKeyOPUVAQFKDKSYEZ-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

adamantan-1-ol;azane
CID 66728775
acetaldehyde;bicyclo[3.2.1]octane
CID 155693421
1-adamantyl(methylsulfinyl)methanone
CID 88597995
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
4-ethenyl-4-methyladamantan-1-ol
CID 134192895
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 175729322
(5S,7S)-3-(dimethylamino)adamantan-1-ol
CID 23314706
acetic acid;adamantane-1-carboxylic acid
CID 67530595
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
5-(1-adamantyl)adamantane-1,3-diol
CID 68810995
1-(1-adamantyl)-2,2-dimethylbutan-1-one
CID 123820208
4-propyladamantane-1,4-diol
CID 139814586

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;adamantan-1-ol?
The IUPAC name of acetaldehyde;adamantan-1-ol (CID 175101814) is acetaldehyde;adamantan-1-ol.
What is the SMILES notation for acetaldehyde;adamantan-1-ol?
The canonical SMILES for acetaldehyde;adamantan-1-ol is CC=O.OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of acetaldehyde;adamantan-1-ol?
The InChIKey is OPUVAQFKDKSYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H4O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-2-3/h7-9,11H,1-6H2;2H,1H3.
What are the key properties of acetaldehyde;adamantan-1-ol?
acetaldehyde;adamantan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;adamantan-1-ol is sourced from PubChem (CID 175101814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).