2-adamantyl 2-methylprop-2-enoate

C14H20O2 — CID 12039948

IUPAC2-adamantyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O2/c1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,1,3-7H2,2H3
InChIKeyDMMOZSFQHREDHM-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.93
Rot. Bonds2

About 2-adamantyl 2-methylprop-2-enoate

2-adamantyl 2-methylprop-2-enoate (PubChem CID 12039948) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-adamantyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-adamantyl 2-methylprop-2-enoate
PubChem CID12039948
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-adamantyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20O2/c1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,1,3-7H2,2H3
InChIKeyDMMOZSFQHREDHM-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.93
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

2-adamantyl 2-(trifluoromethyl)prop-2-enoate
CID 10214718
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
2-adamantyl carbonochloridate
CID 10878537
2-adamantyl 2-methylprop-2-enoate;4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]phenol
CID 87835670
1-[1-(2-adamantyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 19602202
2-adamantyl 3-methylbut-2-enoate
CID 558117
adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
[3-(2-adamantyloxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylprop-2-enoate
CID 89381934
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 101111135
bis(2-adamantyl) butanedioate
CID 91715078
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
CID 67023090
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl 2-methylprop-2-enoate?
The IUPAC name of 2-adamantyl 2-methylprop-2-enoate (CID 12039948) is 2-adamantyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-adamantyl 2-methylprop-2-enoate?
The canonical SMILES for 2-adamantyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl 2-methylprop-2-enoate?
The InChIKey is DMMOZSFQHREDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,1,3-7H2,2H3.
What are the key properties of 2-adamantyl 2-methylprop-2-enoate?
2-adamantyl 2-methylprop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl 2-methylprop-2-enoate is sourced from PubChem (CID 12039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).