[2-(ethenoxymethyl)-2-adamantyl]methanol

C14H22O2 — CID 71815626

IUPAC[2-(ethenoxymethyl)-2-adamantyl]methanol
SMILESC=COCC1(CO)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O2/c1-2-16-9-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h2,10-13,15H,1,3-9H2
InChIKeyACGLECWSOLVWJM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds4

About [2-(ethenoxymethyl)-2-adamantyl]methanol

[2-(ethenoxymethyl)-2-adamantyl]methanol (PubChem CID 71815626) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [2-(ethenoxymethyl)-2-adamantyl]methanol.

Molecular Properties

Compound Name[2-(ethenoxymethyl)-2-adamantyl]methanol
PubChem CID71815626
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[2-(ethenoxymethyl)-2-adamantyl]methanol
SMILESC=COCC1(CO)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O2/c1-2-16-9-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h2,10-13,15H,1,3-9H2
InChIKeyACGLECWSOLVWJM-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of [2-(ethenoxymethyl)-2-adamantyl]methanol?
The IUPAC name of [2-(ethenoxymethyl)-2-adamantyl]methanol (CID 71815626) is [2-(ethenoxymethyl)-2-adamantyl]methanol.
What is the SMILES notation for [2-(ethenoxymethyl)-2-adamantyl]methanol?
The canonical SMILES for [2-(ethenoxymethyl)-2-adamantyl]methanol is C=COCC1(CO)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(ethenoxymethyl)-2-adamantyl]methanol?
The InChIKey is ACGLECWSOLVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-16-9-14(8-15)12-4-10-3-11(6-12)7-13(14)5-10/h2,10-13,15H,1,3-9H2.
What are the key properties of [2-(ethenoxymethyl)-2-adamantyl]methanol?
[2-(ethenoxymethyl)-2-adamantyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethenoxymethyl)-2-adamantyl]methanol is sourced from PubChem (CID 71815626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).