(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C64H102O10 — CID 159269733

IUPAC(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CC(C1)C1CCCC21.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CCC(C(C)(C)C)CC1.C=C(C)C(=O)OCC
InChIInChI=1S/C15H22O2.C14H22O2.C14H24O2.C10H16.C6H10O2.C5H8O2/c1-9(2)15(16)17-12-7-10-6-11(8-12)14-5-3-4-13(10)14;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5;1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-8-6(7)5(2)3;1-4(2)5(6)7-3/h10-14H,1,3-8H2,2H3;10-11H,1,6-8H2,2-5H3;11-12H,1,6-9H2,2-5H3;7-10H,1-6H2;2,4H2,1,3H3;1H2,2-3H3
InChIKeyKXNZDRLGZJRQHG-UHFFFAOYSA-N
MW1031.51 g/mol
LogP15.05
Rot. Bonds9

About (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 159269733) has the molecular formula C64H102O10 and a molecular weight of 1031.51 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID159269733
Molecular FormulaC64H102O10
Molecular Weight1031.51 g/mol
Exact Mass1030.75
IUPAC Name(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CC(C1)C1CCCC21.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CCC(C(C)(C)C)CC1.C=C(C)C(=O)OCC
InChIInChI=1S/C15H22O2.C14H22O2.C14H24O2.C10H16.C6H10O2.C5H8O2/c1-9(2)15(16)17-12-7-10-6-11(8-12)14-5-3-4-13(10)14;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5;1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-8-6(7)5(2)3;1-4(2)5(6)7-3/h10-14H,1,3-8H2,2H3;10-11H,1,6-8H2,2-5H3;11-12H,1,6-9H2,2-5H3;7-10H,1-6H2;2,4H2,1,3H3;1H2,2-3H3
InChIKeyKXNZDRLGZJRQHG-UHFFFAOYSA-N
XLogP15.05
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.51
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 159269733) is (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CC(C1)C1CCCC21.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CCC(C(C)(C)C)CC1.C=C(C)C(=O)OCC.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is KXNZDRLGZJRQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.C14H22O2.C14H24O2.C10H16.C6H10O2.C5H8O2/c1-9(2)15(16)17-12-7-10-6-11(8-12)14-5-3-4-13(10)14;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5;1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-8-6(7)5(2)3;1-4(2)5(6)7-3/h10-14H,1,3-8H2,2H3;10-11H,1,6-8H2,2-5H3;11-12H,1,6-9H2,2-5H3;7-10H,1-6H2;2,4H2,1,3H3;1H2,2-3H3.
What are the key properties of (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 1031.51 g/mol, XLogP of 15.05, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;tricyclo[5.2.1.02,6]decane;9-tricyclo[5.3.1.02,6]undecanyl 2-methylprop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 159269733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).