(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C14H20O2 — CID 140650831

IUPAC(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CCC(C1)C(=C)C2(C)C
InChIInChI=1S/C14H20O2/c1-9(2)12(15)16-14-7-6-11(8-14)10(3)13(14,4)5/h11H,1,3,6-8H2,2,4-5H3
InChIKeyVFKJXHWBIBUQQS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds2

About (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 140650831) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID140650831
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CCC(C1)C(=C)C2(C)C
InChIInChI=1S/C14H20O2/c1-9(2)12(15)16-14-7-6-11(8-14)10(3)13(14,4)5/h11H,1,3,6-8H2,2,4-5H3
InChIKeyVFKJXHWBIBUQQS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)acetamide
CID 15226169
(2,3-dioxo-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 139917267
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)methyl acetate
CID 155673445
(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 141174149
(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 174204067
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
(4-methyl-4-tricyclo[6.2.1.02,7]undecanyl) 2-methylprop-2-enoate
CID 22898232
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-amine
CID 21387451
1-[(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)sulfonyl]-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 175728927
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 140650831) is (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12CCC(C1)C(=C)C2(C)C.
What is the InChIKey of (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is VFKJXHWBIBUQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)12(15)16-14-7-6-11(8-14)10(3)13(14,4)5/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 140650831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).