(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate

C17H24O4 — CID 23531620

IUPAC(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24O4/c1-3-15(18)20-5-4-16(19)21-17(2)13-7-11-6-12(9-13)10-14(17)8-11/h3,11-14H,1,4-10H2,2H3
InChIKeyQMQXMJRNFPTRKK-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.86
Rot. Bonds5

About (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate

(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate (PubChem CID 23531620) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
PubChem CID23531620
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24O4/c1-3-15(18)20-5-4-16(19)21-17(2)13-7-11-6-12(9-13)10-14(17)8-11/h3,11-14H,1,4-10H2,2H3
InChIKeyQMQXMJRNFPTRKK-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-2-methacryloyloxyadamantane
CID 9813645
2-Methyladamantan-2-yl Acrylate (stabilized with MEHQ)
CID 11218292
2-Isopropyl-2-methacryloyloxyadamantane
CID 12097425
(2-Methyl-2-adamantyl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159649744
2-(Methoxymethyl)adamantan-2-yl 2-methylacrylate
CID 58800752
2-Ethyl-2-adamantyl acrylate
CID 22168880
[2-[2-Oxo-2-(3,3,5,5-tetrafluorohexoxy)ethyl]-2-adamantyl] prop-2-enoate
CID 58079127
(2-Butan-2-yl-5-fluoro-2-adamantyl) prop-2-enoate
CID 58734531
(5-Fluoro-2-pentan-3-yl-2-adamantyl) prop-2-enoate
CID 58734740
(5-Fluoro-2-propan-2-yl-2-adamantyl) prop-2-enoate
CID 58734807
[3-[(2-Ethyl-2-adamantyl)oxy]-3-oxopropyl] 2-(trifluoromethyl)prop-2-enoate
CID 58758074
[3-[(2-Methyl-2-adamantyl)oxy]-3-oxopropyl] 2-(trifluoromethyl)prop-2-enoate
CID 58758078

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The IUPAC name of (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate (CID 23531620) is (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The canonical SMILES for (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
The InChIKey is QMQXMJRNFPTRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-15(18)20-5-4-16(19)21-17(2)13-7-11-6-12(9-13)10-14(17)8-11/h3,11-14H,1,4-10H2,2H3.
What are the key properties of (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate?
(2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate has a molecular weight of 292.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-adamantyl) 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 23531620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).