10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene

C36H38NO+ — CID 168732615

IUPAC10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
SMILESCc1ccc2c(C(C)(C)C)c3c(c(C)c2c1)-c1c2c(cc4cc(C5CCCCC5)ccc4c2cc[n+]1C)O3
InChIInChI=1S/C36H38NO/c1-21-12-14-28-29(18-21)22(2)31-34-32-27(16-17-37(34)6)26-15-13-24(23-10-8-7-9-11-23)19-25(26)20-30(32)38-35(31)33(28)36(3,4)5/h12-20,23H,7-11H2,1-6H3/q+1
InChIKeyJRQKNPBYJRFCRK-UHFFFAOYSA-N
MW500.71 g/mol
LogP9.71
Rot. Bonds1

About 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene

10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene (PubChem CID 168732615) has the molecular formula C36H38NO+ and a molecular weight of 500.71 g/mol. Its IUPAC name is 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
PubChem CID168732615
Molecular FormulaC36H38NO+
Molecular Weight500.71 g/mol
Exact Mass500.29
IUPAC Name10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
SMILESCc1ccc2c(C(C)(C)C)c3c(c(C)c2c1)-c1c2c(cc4cc(C5CCCCC5)ccc4c2cc[n+]1C)O3
InChIInChI=1S/C36H38NO/c1-21-12-14-28-29(18-21)22(2)31-34-32-27(16-17-37(34)6)26-15-13-24(23-10-8-7-9-11-23)19-25(26)20-30(32)38-35(31)33(28)36(3,4)5/h12-20,23H,7-11H2,1-6H3/q+1
InChIKeyJRQKNPBYJRFCRK-UHFFFAOYSA-N
XLogP9.71
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.71
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene with MolForge

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Related Compounds

10-tert-butyl-17-cyclohexyl-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732487
17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
CID 168732483
10-tert-butyl-16-(cyclopentylmethyl)-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13,15,17,19,21(25),22-dodecaene
CID 168732537
15-cyclopentyl-3,7,10,20-tetramethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164723407
10-tert-butyl-16-(2,2-dimethylpropyl)-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13,15,17,19,21(25),22-dodecaene
CID 168732065
trimethyl-[3,6,24-trimethyl-10-(2-methylpropyl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-17-yl]germane
CID 168732394
14-cyclohexyl-3,9,19-trimethyl-7,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,5,8,12(20),13,15,17-nonaene
CID 164722734
10,18-bis(2,2-dimethylpropyl)-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
CID 168733767
3,6,10,24-tetramethyl-16-(oxan-4-yl)-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
CID 168733617
14-cyclohexyl-3,9,19-trimethyl-11-oxa-7-thia-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,5,8,12(20),13,15,17-nonaene
CID 164722917
16-(4,4-dimethylcyclohexyl)-10-(2,2-dimethylpropyl)-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
CID 168732813
10-(2,2-dimethylpropyl)-18-fluoro-3,7,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
CID 168731992

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?
The IUPAC name of 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene (CID 168732615) is 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene.
What is the SMILES notation for 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?
The canonical SMILES for 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene is Cc1ccc2c(C(C)(C)C)c3c(c(C)c2c1)-c1c2c(cc4cc(C5CCCCC5)ccc4c2cc[n+]1C)O3.
What is the InChIKey of 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?
The InChIKey is JRQKNPBYJRFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38NO/c1-21-12-14-28-29(18-21)22(2)31-34-32-27(16-17-37(34)6)26-15-13-24(23-10-8-7-9-11-23)19-25(26)20-30(32)38-35(31)33(28)36(3,4)5/h12-20,23H,7-11H2,1-6H3/q+1.
What are the key properties of 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?
10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene has a molecular weight of 500.71 g/mol, XLogP of 9.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-17-cyclohexyl-3,6,24-trimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene is sourced from PubChem (CID 168732615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).