(2-ethenyl-2-adamantyl) methyl carbonate

C14H20O3 — CID 156522537

IUPAC(2-ethenyl-2-adamantyl) methyl carbonate
SMILESC=CC1(OC(=O)OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O3/c1-3-14(17-13(15)16-2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKeyJKUDHONGEFGMBP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.15
Rot. Bonds2

About (2-ethenyl-2-adamantyl) methyl carbonate

(2-ethenyl-2-adamantyl) methyl carbonate (PubChem CID 156522537) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2-ethenyl-2-adamantyl) methyl carbonate.

Molecular Properties

Compound Name(2-ethenyl-2-adamantyl) methyl carbonate
PubChem CID156522537
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2-ethenyl-2-adamantyl) methyl carbonate
SMILESC=CC1(OC(=O)OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O3/c1-3-14(17-13(15)16-2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKeyJKUDHONGEFGMBP-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-2-adamantyl) methyl carbonate?
The IUPAC name of (2-ethenyl-2-adamantyl) methyl carbonate (CID 156522537) is (2-ethenyl-2-adamantyl) methyl carbonate.
What is the SMILES notation for (2-ethenyl-2-adamantyl) methyl carbonate?
The canonical SMILES for (2-ethenyl-2-adamantyl) methyl carbonate is C=CC1(OC(=O)OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-ethenyl-2-adamantyl) methyl carbonate?
The InChIKey is JKUDHONGEFGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-14(17-13(15)16-2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3.
What are the key properties of (2-ethenyl-2-adamantyl) methyl carbonate?
(2-ethenyl-2-adamantyl) methyl carbonate has a molecular weight of 236.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-2-adamantyl) methyl carbonate is sourced from PubChem (CID 156522537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).