(2-ethenyl-2-adamantyl) formate

C13H18O2 — CID 156522664

IUPAC(2-ethenyl-2-adamantyl) formate
SMILESC=CC1(OC=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18O2/c1-2-13(15-8-14)11-4-9-3-10(6-11)7-12(13)5-9/h2,8-12H,1,3-7H2
InChIKeyZPKGYXXZCBWJIN-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.54
Rot. Bonds3

About (2-ethenyl-2-adamantyl) formate

(2-ethenyl-2-adamantyl) formate (PubChem CID 156522664) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2-ethenyl-2-adamantyl) formate.

Molecular Properties

Compound Name(2-ethenyl-2-adamantyl) formate
PubChem CID156522664
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2-ethenyl-2-adamantyl) formate
SMILESC=CC1(OC=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18O2/c1-2-13(15-8-14)11-4-9-3-10(6-11)7-12(13)5-9/h2,8-12H,1,3-7H2
InChIKeyZPKGYXXZCBWJIN-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-2-adamantyl) formate?
The IUPAC name of (2-ethenyl-2-adamantyl) formate (CID 156522664) is (2-ethenyl-2-adamantyl) formate.
What is the SMILES notation for (2-ethenyl-2-adamantyl) formate?
The canonical SMILES for (2-ethenyl-2-adamantyl) formate is C=CC1(OC=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-ethenyl-2-adamantyl) formate?
The InChIKey is ZPKGYXXZCBWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(15-8-14)11-4-9-3-10(6-11)7-12(13)5-9/h2,8-12H,1,3-7H2.
What are the key properties of (2-ethenyl-2-adamantyl) formate?
(2-ethenyl-2-adamantyl) formate has a molecular weight of 206.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-2-adamantyl) formate is sourced from PubChem (CID 156522664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).