2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate

C20H32O3 — CID 68551017

IUPAC2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC12CC3(C)CC(C)(CC(CCO)(C3)C1)C2
InChIInChI=1S/C20H32O3/c1-15(2)16(22)23-8-6-20-12-17(3)9-18(4,13-20)11-19(10-17,14-20)5-7-21/h21H,1,5-14H2,2-4H3
InChIKeyDWMVYDVJFHPBIJ-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.24
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate

2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate (PubChem CID 68551017) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate
PubChem CID68551017
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC12CC3(C)CC(C)(CC(CCO)(C3)C1)C2
InChIInChI=1S/C20H32O3/c1-15(2)16(22)23-8-6-20-12-17(3)9-18(4,13-20)11-19(10-17,14-20)5-7-21/h21H,1,5-14H2,2-4H3
InChIKeyDWMVYDVJFHPBIJ-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate
CID 70192127
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
5,7-dimethyl-2,2-bis[3-(2-methylprop-2-enoyloxy)propyl]adamantane-1,3-dicarboxylic acid
CID 18757371
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]oxetan-2-yl]ethyl 2-methylprop-2-enoate
CID 151986382
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate (CID 68551017) is 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC12CC3(C)CC(C)(CC(CCO)(C3)C1)C2.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate?
The InChIKey is DWMVYDVJFHPBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-15(2)16(22)23-8-6-20-12-17(3)9-18(4,13-20)11-19(10-17,14-20)5-7-21/h21H,1,5-14H2,2-4H3.
What are the key properties of 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate?
2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate has a molecular weight of 320.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 68551017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).