adamantane;ethyl 2-methylprop-2-enoate

C16H26O2 — CID 175529705

IUPACadamantane;ethyl 2-methylprop-2-enoate
SMILESC1C2CC3CC1CC(C2)C3.C=C(C)C(=O)OCC
InChIInChI=1S/C10H16.C6H10O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4-8-6(7)5(2)3/h7-10H,1-6H2;2,4H2,1,3H3
InChIKeyJXUBJZDTRJDQEA-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.96
Rot. Bonds2

About adamantane;ethyl 2-methylprop-2-enoate

adamantane;ethyl 2-methylprop-2-enoate (PubChem CID 175529705) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is adamantane;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameadamantane;ethyl 2-methylprop-2-enoate
PubChem CID175529705
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameadamantane;ethyl 2-methylprop-2-enoate
SMILESC1C2CC3CC1CC(C2)C3.C=C(C)C(=O)OCC
InChIInChI=1S/C10H16.C6H10O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4-8-6(7)5(2)3/h7-10H,1-6H2;2,4H2,1,3H3
InChIKeyJXUBJZDTRJDQEA-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.96
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

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethyl 2-(2-adamantyl)prop-2-enoate
CID 66912559
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771

Frequently Asked Questions

What is the IUPAC name of adamantane;ethyl 2-methylprop-2-enoate?
The IUPAC name of adamantane;ethyl 2-methylprop-2-enoate (CID 175529705) is adamantane;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for adamantane;ethyl 2-methylprop-2-enoate?
The canonical SMILES for adamantane;ethyl 2-methylprop-2-enoate is C1C2CC3CC1CC(C2)C3.C=C(C)C(=O)OCC.
What is the InChIKey of adamantane;ethyl 2-methylprop-2-enoate?
The InChIKey is JXUBJZDTRJDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C6H10O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-4-8-6(7)5(2)3/h7-10H,1-6H2;2,4H2,1,3H3.
What are the key properties of adamantane;ethyl 2-methylprop-2-enoate?
adamantane;ethyl 2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175529705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).