2-(1-adamantyl)propyl prop-2-enoate

C16H24O2 — CID 141274078

IUPAC2-(1-adamantyl)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24O2/c1-3-15(17)18-10-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h3,11-14H,1,4-10H2,2H3
InChIKeyDZEOZYLLIUKGAN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds4

About 2-(1-adamantyl)propyl prop-2-enoate

2-(1-adamantyl)propyl prop-2-enoate (PubChem CID 141274078) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-adamantyl)propyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-adamantyl)propyl prop-2-enoate
PubChem CID141274078
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(1-adamantyl)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24O2/c1-3-15(17)18-10-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h3,11-14H,1,4-10H2,2H3
InChIKeyDZEOZYLLIUKGAN-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-(1-adamantyl)-3-methylbutyl] prop-2-enoate
CID 174626200
4-(1-adamantyl)-2-methylidenepentanoic acid
CID 66657473
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-(1-adamantyl)propan-1-ol
CID 23623999
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 122216436
[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] adamantane-1-carboxylate
CID 18757373
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-adamantyloxymethyl prop-2-enoate
CID 59008639
(2-methyl-3-methylsulfonylpropyl) prop-2-enoate
CID 146585677
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propyl prop-2-enoate?
The IUPAC name of 2-(1-adamantyl)propyl prop-2-enoate (CID 141274078) is 2-(1-adamantyl)propyl prop-2-enoate.
What is the SMILES notation for 2-(1-adamantyl)propyl prop-2-enoate?
The canonical SMILES for 2-(1-adamantyl)propyl prop-2-enoate is C=CC(=O)OCC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)propyl prop-2-enoate?
The InChIKey is DZEOZYLLIUKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-15(17)18-10-11(2)16-7-12-4-13(8-16)6-14(5-12)9-16/h3,11-14H,1,4-10H2,2H3.
What are the key properties of 2-(1-adamantyl)propyl prop-2-enoate?
2-(1-adamantyl)propyl prop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propyl prop-2-enoate is sourced from PubChem (CID 141274078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).