2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole

C134H197N7O4 — CID 157184457

IUPAC2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3COC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(CO)c2c1.CC1CC(n2c(C(C)(C)C)cc3ccc(C(C)(C)C)cc32)C1.CCCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COC1CC1n1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C21H31N.C20H29NO.C20H29N.C19H27NO.C19H29N.C18H27NO.C17H25NO/c1-14-10-17(11-14)22-18-13-16(20(2,3)4)9-8-15(18)12-19(22)21(5,6)7;1-19(2,3)14-9-8-13-10-18(20(4,5)6)21(15(13)11-14)16-12-17(16)22-7;1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16;1-18(2,3)14-8-7-13-9-17(19(4,5)6)20(16(13)10-14)15-11-21-12-15;1-8-11-20-16-13-15(18(2,3)4)10-9-14(16)12-17(20)19(5,6)7;1-17(2,3)14-9-8-13-10-16(18(4,5)6)19(12-20-7)15(13)11-14;1-16(2,3)13-8-7-12-9-15(17(4,5)6)18(11-19)14(12)10-13/h8-9,12-14,17H,10-11H2,1-7H3;8-11,16-17H,12H2,1-7H3;10-13,16H,7-9H2,1-6H3;7-10,15H,11-12H2,1-6H3;9-10,12-13H,8,11H2,1-7H3;8-11H,12H2,1-7H3;7-10,19H,11H2,1-6H3
InChIKeyAOYNCEFGIJCBGS-UHFFFAOYSA-N
MW1970.09 g/mol
LogP36.84
Rot. Bonds10

About 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole

2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole (PubChem CID 157184457) has the molecular formula C134H197N7O4 and a molecular weight of 1970.09 g/mol. Its IUPAC name is 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole.

Molecular Properties

Compound Name2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole
PubChem CID157184457
Molecular FormulaC134H197N7O4
Molecular Weight1970.09 g/mol
Exact Mass1968.54
IUPAC Name2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3COC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(CO)c2c1.CC1CC(n2c(C(C)(C)C)cc3ccc(C(C)(C)C)cc32)C1.CCCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COC1CC1n1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C21H31N.C20H29NO.C20H29N.C19H27NO.C19H29N.C18H27NO.C17H25NO/c1-14-10-17(11-14)22-18-13-16(20(2,3)4)9-8-15(18)12-19(22)21(5,6)7;1-19(2,3)14-9-8-13-10-18(20(4,5)6)21(15(13)11-14)16-12-17(16)22-7;1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16;1-18(2,3)14-8-7-13-9-17(19(4,5)6)20(16(13)10-14)15-11-21-12-15;1-8-11-20-16-13-15(18(2,3)4)10-9-14(16)12-17(20)19(5,6)7;1-17(2,3)14-9-8-13-10-16(18(4,5)6)19(12-20-7)15(13)11-14;1-16(2,3)13-8-7-12-9-15(17(4,5)6)18(11-19)14(12)10-13/h8-9,12-14,17H,10-11H2,1-7H3;8-11,16-17H,12H2,1-7H3;10-13,16H,7-9H2,1-6H3;7-10,15H,11-12H2,1-6H3;9-10,12-13H,8,11H2,1-7H3;8-11H,12H2,1-7H3;7-10,19H,11H2,1-6H3
InChIKeyAOYNCEFGIJCBGS-UHFFFAOYSA-N
XLogP36.84
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.09
LogP ≤ 536.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole?
The IUPAC name of 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole (CID 157184457) is 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole.
What is the SMILES notation for 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole?
The canonical SMILES for 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole is CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3CCC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(C3COC3)c2c1.CC(C)(C)c1ccc2cc(C(C)(C)C)n(CO)c2c1.CC1CC(n2c(C(C)(C)C)cc3ccc(C(C)(C)C)cc32)C1.CCCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COC1CC1n1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.COCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole?
The InChIKey is AOYNCEFGIJCBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N.C20H29NO.C20H29N.C19H27NO.C19H29N.C18H27NO.C17H25NO/c1-14-10-17(11-14)22-18-13-16(20(2,3)4)9-8-15(18)12-19(22)21(5,6)7;1-19(2,3)14-9-8-13-10-18(20(4,5)6)21(15(13)11-14)16-12-17(16)22-7;1-19(2,3)15-11-10-14-12-18(20(4,5)6)21(17(14)13-15)16-8-7-9-16;1-18(2,3)14-8-7-13-9-17(19(4,5)6)20(16(13)10-14)15-11-21-12-15;1-8-11-20-16-13-15(18(2,3)4)10-9-14(16)12-17(20)19(5,6)7;1-17(2,3)14-9-8-13-10-16(18(4,5)6)19(12-20-7)15(13)11-14;1-16(2,3)13-8-7-12-9-15(17(4,5)6)18(11-19)14(12)10-13/h8-9,12-14,17H,10-11H2,1-7H3;8-11,16-17H,12H2,1-7H3;10-13,16H,7-9H2,1-6H3;7-10,15H,11-12H2,1-6H3;9-10,12-13H,8,11H2,1-7H3;8-11H,12H2,1-7H3;7-10,19H,11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole?
2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole has a molecular weight of 1970.09 g/mol, XLogP of 36.84, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1-cyclobutylindole;(2,6-ditert-butylindol-1-yl)methanol;2,6-ditert-butyl-1-(2-methoxycyclopropyl)indole;2,6-ditert-butyl-1-(methoxymethyl)indole;2,6-ditert-butyl-1-(3-methylcyclobutyl)indole;2,6-ditert-butyl-1-(oxetan-3-yl)indole;2,6-ditert-butyl-1-propylindole is sourced from PubChem (CID 157184457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).