(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C14H22O2 — CID 153303586

IUPAC(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C(C)C2(C)C
InChIInChI=1S/C14H22O2/c1-8(2)13(15)16-12-7-10-6-11(12)9(3)14(10,4)5/h9-12H,1,6-7H2,2-5H3
InChIKeySALUSSOCOVPHNA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds2

About (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 153303586) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID153303586
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C(C)C2(C)C
InChIInChI=1S/C14H22O2/c1-8(2)13(15)16-12-7-10-6-11(12)9(3)14(10,4)5/h9-12H,1,6-7H2,2-5H3
InChIKeySALUSSOCOVPHNA-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
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

methyl 3-methyl-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 143139267
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
[(1R)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-1-yl] 2-methylprop-2-enoate
CID 18448252
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
CID 67023090
ditert-butyl 5-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 89116229
[(1R,2S,4R,5R,6S)-5,6-bis(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 121423123
(5,5-dimethyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 122493559
[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
CID 89091482
2-methyl-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 70671066
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 18786802

Frequently Asked Questions

What is the IUPAC name of (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 153303586) is (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C(C)C2(C)C.
What is the InChIKey of (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is SALUSSOCOVPHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-8(2)13(15)16-12-7-10-6-11(12)9(3)14(10,4)5/h9-12H,1,6-7H2,2-5H3.
What are the key properties of (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 222.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 153303586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).