(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

C31H32NOSi+ — CID 168732511

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-16-yl)-trimethylsilane
SMILESCc1c2c(c(C(C)C)c3ccccc13)Oc1cc3c([Si](C)(C)C)cccc3c3cc[n+](C)c-2c13
InChIInChI=1S/C31H32NOSi/c1-18(2)27-22-12-9-8-11-20(22)19(3)28-30-29-23(15-16-32(30)4)21-13-10-14-26(34(5,6)7)24(21)17-25(29)33-31(27)28/h8-18H,1-7H3/q+1
InChIKeyNOOZMGMEKSNFMW-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-16-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-16-yl)-trimethylsilane (PubChem CID 168732511) 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-16-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-16-yl)-trimethylsilane
PubChem CID168732511
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-16-yl)-trimethylsilane
SMILESCc1c2c(c(C(C)C)c3ccccc13)Oc1cc3c([Si](C)(C)C)cccc3c3cc[n+](C)c-2c13
InChIInChI=1S/C31H32NOSi/c1-18(2)27-22-12-9-8-11-20(22)19(3)28-30-29-23(15-16-32(30)4)21-13-10-14-26(34(5,6)7)24(21)17-25(29)33-31(27)28/h8-18H,1-7H3/q+1
InChIKeyNOOZMGMEKSNFMW-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'}

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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-16-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-16-yl)-trimethylsilane (CID 168732511) 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-16-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-16-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-16-yl)-trimethylsilane is Cc1c2c(c(C(C)C)c3ccccc13)Oc1cc3c([Si](C)(C)C)cccc3c3cc[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-16-yl)-trimethylsilane?
The InChIKey is NOOZMGMEKSNFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32NOSi/c1-18(2)27-22-12-9-8-11-20(22)19(3)28-30-29-23(15-16-32(30)4)21-13-10-14-26(34(5,6)7)24(21)17-25(29)33-31(27)28/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-16-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-16-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-16-yl)-trimethylsilane is sourced from PubChem (CID 168732511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).