(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane

C31H32NOSi+ — CID 168732810

IUPAC(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane
SMILESCc1c2c(c(C(C)C)c3ccccc13)Oc1cc3cccc([Si](C)(C)C)c3c3cc[n+](C)c-2c13
InChIInChI=1S/C31H32NOSi/c1-18(2)26-22-13-9-8-12-21(22)19(3)27-30-29-23(15-16-32(30)4)28-20(17-24(29)33-31(26)27)11-10-14-25(28)34(5,6)7/h8-18H,1-7H3/q+1
InChIKeyRJVNGSDOMWBFOQ-UHFFFAOYSA-N
MW462.69 g/mol
LogP7.72
Rot. Bonds2

About (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane

(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane (PubChem CID 168732810) has the molecular formula C31H32NOSi+ and a molecular weight of 462.69 g/mol. Its IUPAC name is (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane
PubChem CID168732810
Molecular FormulaC31H32NOSi+
Molecular Weight462.69 g/mol
Exact Mass462.22
IUPAC Name(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane
SMILESCc1c2c(c(C(C)C)c3ccccc13)Oc1cc3cccc([Si](C)(C)C)c3c3cc[n+](C)c-2c13
InChIInChI=1S/C31H32NOSi/c1-18(2)26-22-13-9-8-12-21(22)19(3)27-30-29-23(15-16-32(30)4)28-20(17-24(29)33-31(26)27)11-10-14-25(28)34(5,6)7/h8-18H,1-7H3/q+1
InChIKeyRJVNGSDOMWBFOQ-UHFFFAOYSA-N
XLogP7.72
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.69
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane with MolForge

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Related Compounds

(3,24-dimethyl-10-propan-2-yl-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-dodecaen-16-yl)-trimethylsilane
CID 168732511
17-fluoro-3,24-dimethyl-10-propan-2-yl-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 168732163
3,24-dimethyl-10,18-di(propan-2-yl)-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 168732264
18-(4,4-dimethylcyclohexyl)-3,24-dimethyl-10-propan-2-yl-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 168732629
16-fluoro-3,10,24-trimethyl-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 168732145
3,10,16,24-tetramethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13,15,17,19,21(25),22-dodecaene
CID 168732387
19-cyclopentyl-3,24-dimethyl-10-(2-methylpropyl)-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 168733385
N,N,3,20-tetramethyl-15-propan-2-yl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-amine
CID 164723072
trimethyl-(3,10,24-trimethyl-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-dodecaen-17-yl)germane
CID 168733077
[3,20-dimethyl-15-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]-trimethylsilane
CID 164722400
3,24-dimethyl-19-phenyl-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 168732700
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

Frequently Asked Questions

What is the IUPAC name of (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane?
The IUPAC name of (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane (CID 168732810) is (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane.
What is the SMILES notation for (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane?
The canonical SMILES for (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane is Cc1c2c(c(C(C)C)c3ccccc13)Oc1cc3cccc([Si](C)(C)C)c3c3cc[n+](C)c-2c13.
What is the InChIKey of (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane?
The InChIKey is RJVNGSDOMWBFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32NOSi/c1-18(2)26-22-13-9-8-12-21(22)19(3)27-30-29-23(15-16-32(30)4)28-20(17-24(29)33-31(26)27)11-10-14-25(28)34(5,6)7/h8-18H,1-7H3/q+1.
What are the key properties of (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane?
(3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane has a molecular weight of 462.69 g/mol, XLogP of 7.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,24-dimethyl-10-propan-2-yl-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-dodecaen-19-yl)-trimethylsilane is sourced from PubChem (CID 168732810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).