(2-prop-2-enyl-2-adamantyl) formate

C14H20O2 — CID 173011870

IUPAC(2-prop-2-enyl-2-adamantyl) formate
SMILESC=CCC1(OC=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O2/c1-2-3-14(16-9-15)12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2
InChIKeyCNNLGDMCJIWNAO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.93
Rot. Bonds4

About (2-prop-2-enyl-2-adamantyl) formate

(2-prop-2-enyl-2-adamantyl) formate (PubChem CID 173011870) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2-prop-2-enyl-2-adamantyl) formate.

Molecular Properties

Compound Name(2-prop-2-enyl-2-adamantyl) formate
PubChem CID173011870
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2-prop-2-enyl-2-adamantyl) formate
SMILESC=CCC1(OC=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O2/c1-2-3-14(16-9-15)12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2
InChIKeyCNNLGDMCJIWNAO-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.93
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-prop-2-enyl-2-adamantyl) formate?
The IUPAC name of (2-prop-2-enyl-2-adamantyl) formate (CID 173011870) is (2-prop-2-enyl-2-adamantyl) formate.
What is the SMILES notation for (2-prop-2-enyl-2-adamantyl) formate?
The canonical SMILES for (2-prop-2-enyl-2-adamantyl) formate is C=CCC1(OC=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-prop-2-enyl-2-adamantyl) formate?
The InChIKey is CNNLGDMCJIWNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-14(16-9-15)12-5-10-4-11(7-12)8-13(14)6-10/h2,9-13H,1,3-8H2.
What are the key properties of (2-prop-2-enyl-2-adamantyl) formate?
(2-prop-2-enyl-2-adamantyl) formate has a molecular weight of 220.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyl-2-adamantyl) formate is sourced from PubChem (CID 173011870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).