[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate

C18H35NO2Sn — CID 11761505

IUPAC[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C(C(OC(=O)N(C(C)C)C(C)C)[Sn](C)(C)C)CCCC1
InChIInChI=1S/C15H26NO2.3CH3.Sn/c1-11(2)16(12(3)4)15(17)18-10-14-9-7-6-8-13(14)5;;;;/h10-12H,6-9H2,1-5H3;3*1H3;
InChIKeyZOJQLFVVVJEYKK-UHFFFAOYSA-N
MW416.19 g/mol
LogP5.38
Rot. Bonds5

About [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate

[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate (PubChem CID 11761505) has the molecular formula C18H35NO2Sn and a molecular weight of 416.19 g/mol. Its IUPAC name is [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate
PubChem CID11761505
Molecular FormulaC18H35NO2Sn
Molecular Weight416.19 g/mol
Exact Mass417.17
IUPAC Name[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C(C(OC(=O)N(C(C)C)C(C)C)[Sn](C)(C)C)CCCC1
InChIInChI=1S/C15H26NO2.3CH3.Sn/c1-11(2)16(12(3)4)15(17)18-10-14-9-7-6-8-13(14)5;;;;/h10-12H,6-9H2,1-5H3;3*1H3;
InChIKeyZOJQLFVVVJEYKK-UHFFFAOYSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.19
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate (CID 11761505) is [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate is CC1=C(C(OC(=O)N(C(C)C)C(C)C)[Sn](C)(C)C)CCCC1.
What is the InChIKey of [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is ZOJQLFVVVJEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO2.3CH3.Sn/c1-11(2)16(12(3)4)15(17)18-10-14-9-7-6-8-13(14)5;;;;/h10-12H,6-9H2,1-5H3;3*1H3;.
What are the key properties of [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate?
[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 416.19 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11761505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).