methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane

C51H64N2O6 — CID 158306078

IUPACmethyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane
SMILESC1CCOC1.C=C(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1
InChIInChI=1S/C24H29NO2.C23H27NO3.C4H8O/c1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)17-8-9-21(25-14-17)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)15-7-8-19(24-13-15)21(26)27-6;1-2-4-5-3-1/h8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;1-4H2
InChIKeyGNCDNUDJWHKGHO-UHFFFAOYSA-N
MW801.08 g/mol
LogP11.14
Rot. Bonds6

About methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane

methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane (PubChem CID 158306078) has the molecular formula C51H64N2O6 and a molecular weight of 801.08 g/mol. Its IUPAC name is methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane.

Molecular Properties

Compound Namemethyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane
PubChem CID158306078
Molecular FormulaC51H64N2O6
Molecular Weight801.08 g/mol
Exact Mass800.48
IUPAC Namemethyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane
SMILESC1CCOC1.C=C(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1
InChIInChI=1S/C24H29NO2.C23H27NO3.C4H8O/c1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)17-8-9-21(25-14-17)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)15-7-8-19(24-13-15)21(26)27-6;1-2-4-5-3-1/h8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;1-4H2
InChIKeyGNCDNUDJWHKGHO-UHFFFAOYSA-N
XLogP11.14
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.08
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane?
The IUPAC name of methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane (CID 158306078) is methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane.
What is the SMILES notation for methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane?
The canonical SMILES for methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane is C1CCOC1.C=C(c1ccc(C(=O)OC)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1.
What is the InChIKey of methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane?
The InChIKey is GNCDNUDJWHKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.C23H27NO3.C4H8O/c1-15-12-19-20(24(5,6)11-10-23(19,3)4)13-18(15)16(2)17-8-9-21(25-14-17)22(26)27-7;1-14-11-17-18(23(4,5)10-9-22(17,2)3)12-16(14)20(25)15-7-8-19(24-13-15)21(26)27-6;1-2-4-5-3-1/h8-9,12-14H,2,10-11H2,1,3-7H3;7-8,11-13H,9-10H2,1-6H3;1-4H2.
What are the key properties of methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane?
methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane has a molecular weight of 801.08 g/mol, XLogP of 11.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-2-carboxylate;methyl 5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylate;oxolane is sourced from PubChem (CID 158306078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).