(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate

C18H26O2 — CID 20700758

IUPAC(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC2CC1CC21CC2CCC1C2
InChIInChI=1S/C18H26O2/c1-11(2)16(19)20-17(3)9-15-7-14(17)10-18(15)8-12-4-5-13(18)6-12/h12-15H,1,4-10H2,2-3H3
InChIKeyFTRYZTOFBWXXPM-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.10
Rot. Bonds2

About (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate

(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate (PubChem CID 20700758) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate
PubChem CID20700758
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC2CC1CC21CC2CCC1C2
InChIInChI=1S/C18H26O2/c1-11(2)16(19)20-17(3)9-15-7-14(17)10-18(15)8-12-4-5-13(18)6-12/h12-15H,1,4-10H2,2-3H3
InChIKeyFTRYZTOFBWXXPM-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.10
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

[(2S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 101419322
1-tricyclo[3.2.1.02,7]octanyl 2-methylprop-2-enoate
CID 155725185
(2,2-dihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 66666665
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
(8-ethyl-8-tricyclo[5.3.1.04,9]undecanyl) 2-methylprop-2-enoate
CID 148584656
1-O-methyl 4-O-(2-methyl-2-bicyclo[2.2.1]heptanyl) (E)-but-2-enedioate
CID 20700762
[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 134285849
(1-hydroxy-2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 66766626
3-methyl-1-[2-(3-methyl-2-oxobut-3-enyl)-2-bicyclo[2.2.1]heptanyl]but-3-en-2-one
CID 70028807
(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate
CID 58887066
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260

Frequently Asked Questions

What is the IUPAC name of (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate?
The IUPAC name of (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate (CID 20700758) is (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CC2CC1CC21CC2CCC1C2.
What is the InChIKey of (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate?
The InChIKey is FTRYZTOFBWXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-11(2)16(19)20-17(3)9-15-7-14(17)10-18(15)8-12-4-5-13(18)6-12/h12-15H,1,4-10H2,2-3H3.
What are the key properties of (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate?
(2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate has a molecular weight of 274.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'-methyl-2,5'-spirobi[bicyclo[2.2.1]heptane]-2'-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 20700758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).