3-(ethenoxymethyl)adamantan-1-ol

C13H20O2 — CID 134309633

IUPAC3-(ethenoxymethyl)adamantan-1-ol
SMILESC=COCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-15-9-12-4-10-3-11(5-12)7-13(14,6-10)8-12/h2,10-11,14H,1,3-9H2
InChIKeyYKLDNOXAGKPJRT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.48
Rot. Bonds3

About 3-(ethenoxymethyl)adamantan-1-ol

3-(ethenoxymethyl)adamantan-1-ol (PubChem CID 134309633) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(ethenoxymethyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(ethenoxymethyl)adamantan-1-ol
PubChem CID134309633
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(ethenoxymethyl)adamantan-1-ol
SMILESC=COCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-15-9-12-4-10-3-11(5-12)7-13(14,6-10)8-12/h2,10-11,14H,1,3-9H2
InChIKeyYKLDNOXAGKPJRT-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(5S,7R)-3-prop-2-enyladamantan-1-ol
CID 102058393
3-(chloromethoxymethyl)adamantan-1-ol
CID 58669022
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide
CID 9207685
(5S,7R)-3-propyladamantan-1-ol
CID 1225075
3-(4-hydroxybut-2-enyl)adamantan-1-ol
CID 141155060
difluoro-[(3-hydroxy-1-adamantyl)methoxy]methanesulfonic acid
CID 123877041
[2-(ethenoxymethyl)-2-adamantyl]methanol
CID 71815626
3-butyladamantan-1-ol
CID 71257981
(3-hydroxy-1-adamantyl)methyl 2-iodo-2-methylbutanoate
CID 129121521
(3-hydroxy-1-adamantyl)methyl oxetan-3-ylmethyl carbonate
CID 70808314
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
1,1-difluoro-2-[[(5S,7R)-3-hydroxy-1-adamantyl]methoxy]-2-oxoethanesulfonate
CID 102054937

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)adamantan-1-ol?
The IUPAC name of 3-(ethenoxymethyl)adamantan-1-ol (CID 134309633) is 3-(ethenoxymethyl)adamantan-1-ol.
What is the SMILES notation for 3-(ethenoxymethyl)adamantan-1-ol?
The canonical SMILES for 3-(ethenoxymethyl)adamantan-1-ol is C=COCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(ethenoxymethyl)adamantan-1-ol?
The InChIKey is YKLDNOXAGKPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-9-12-4-10-3-11(5-12)7-13(14,6-10)8-12/h2,10-11,14H,1,3-9H2.
What are the key properties of 3-(ethenoxymethyl)adamantan-1-ol?
3-(ethenoxymethyl)adamantan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)adamantan-1-ol is sourced from PubChem (CID 134309633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).