[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate

C21H30O6 — CID 58106057

IUPAC[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30O6/c1-11(2)18(22)25-12(3)19(23)26-13(4)20(24)27-21(5)16-7-14-6-15(9-16)10-17(21)8-14/h12-17H,1,6-10H2,2-5H3
InChIKeyFCYUUOZIYQYZGF-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.18
Rot. Bonds6

About [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate

[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate (PubChem CID 58106057) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol. Its IUPAC name is [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate
PubChem CID58106057
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30O6/c1-11(2)18(22)25-12(3)19(23)26-13(4)20(24)27-21(5)16-7-14-6-15(9-16)10-17(21)8-14/h12-17H,1,6-10H2,2-5H3
InChIKeyFCYUUOZIYQYZGF-UHFFFAOYSA-N
XLogP3.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate 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-Methyl-2-adamantyl methacrylate
CID 9837566
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-[2-[(2-Methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-fluoroprop-2-enoate
CID 58105918
[2-[2-[(2-Methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 58105948
(2-Butan-2-yl-5-fluoro-2-adamantyl) 2-methylprop-2-enoate
CID 58734663
(5-Fluoro-2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 58734678
(5-Fluoro-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate
CID 58734833
[2-[(2-Methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoroprop-2-enoate
CID 58758076
[2-[(2-Ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoroprop-2-enoate
CID 58758077

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate (CID 58106057) is [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is FCYUUOZIYQYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O6/c1-11(2)18(22)25-12(3)19(23)26-13(4)20(24)27-21(5)16-7-14-6-15(9-16)10-17(21)8-14/h12-17H,1,6-10H2,2-5H3.
What are the key properties of [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate?
[1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 378.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methyl-2-adamantyl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58106057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).